Table 1. Data Collection, Processing, and Refinement Statisticsa.
| 1 | 2 | 3 | 4 | 5 | 6 | 7 | N-ω-nitro-l-arginine (NOHA) | N-ω-hydroxy-l-arginine (L-NNA) | |
|---|---|---|---|---|---|---|---|---|---|
| a, b, c (Å) | 80.62, 95.0,1 62.77 | 80.52, 94.94, 63.49 | 80.97, 94.55, 125.12 | 80.38, 95.70, 63.07 | 79.70, 93.54, 62.30 | 79.85, 93.45, 62.48 | 80.42, 94.91, 62.86 | 80.93, 94.73, 62.03 | 80.55, 94.94, 62.13 |
| α, β, γ (deg) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| total observations | 230276 (11686) | 122521 (9449) | 358403 (14500) | 244251 (8510) | 226474 (10117) | 211092 (9519) | 344120 (12494) | 172015 | 212567 (9899) |
| unique observations | 56580 (2868) | 29389 (2258) | 63764 (4312) | 50162 (2562) | 34237 (2377) | 37512 (2303) | 69173 (3171) | 33624 | 39483 (2495) |
| resolution (Å) | 37.11–1.67 (1.73–1.67) | 44.14–2.09 (2.15–2.09) | 49.51–2.02 (2.07–2.02) | 52.66–1.74 (1.77–1.74) | 49.09–1.96 (2.01–1.96) | 49.21–1.90 (1.94–1.90) | 37.02–1.55 (1.58–1.55) | 37.65–1.98 (2.03–1.98) | 49.20–1.88 (1.92–1.88) |
| Rmerge | 0.037 (1.118) | 0.131 (0.882) | 0.053 (0.108) | 0.082 (0.396) | 0.144 (0.347) | 0.141 (0.346) | 0.039 (2.151) | 0.038 (1.303) | 0.073 (0.917) |
| RPIM | 0.032 (0.951) | 0.101 (0.690) | 0.031 (0.094) | 0.052 (0.357) | 0.082 (0.289) | 0.078 (0.268) | 0.029 (1.697) | 0.027 (0.950) | 0.045 (0.810) |
| CC1/2 | 0.999 (0.591) | 0.991 (0.674) | 0.999 (0.990) | 0.997 (0.867) | 0.995 (0.915) | 0.991 (0.868) | 0.999 (0.601) | 1.000 (0.657) | 0.998 (0.515) |
| I/σI | 17.74 (1.1) | 5.2 (1.1) | 21.6 (8.5) | 10.6 (2.3) | 7.4 (2.4) | 8.9 (3.0) | 15.0 (0.7) | 20.1 (1.0) | 18.7 (1.5) |
| completeness (%) | 99.79 (99.77) | 99.7 (99.8) | 99.7 (97.2) | 99.3 (94.8) | 99.9 (99.3) | 99.4 (95.7) | 98.3 (92.5) | 99.2 (97.1) | 99.9 (99.7) |
| multiplicity | 4.1 (4.1) | 4.2 (4.2) | 5.6 (3.4) | 4.9 (3.3) | 6.6 (4.3) | 5.6 (4.1) | 5.0 (3.9) | 5.1 (4.9) | 5.4 (4.0) |
| Wilson B-factor | 26.54 | 28.44 | 20.36 | 20.89 | 27.21 | 19.22 | 26.72 | 36.44 | 30.17 |
| Refinement | |||||||||
| resolution (Å) | 1.67 | 2.09 | 2.017 | 1.74 | 2.13 | 1.90 | 1.55 | 1.98 | 1.88 |
| no. reflections | 56494 | 29338 | 63603 | 49954 | 26698 | 36318 | 68910 | 26173 | 39297 |
| Rwork | 0.1648 | 0.1674 | 0.1718 | 0.1668 | 0.1525 | 0.1666 | 0.1782 | 0.1662 | 0.1724 |
| Rfree | 0.1884 | 0.2199 | 0.1987 | 0.1878 | 0.2014 | 0.2077 | 0.1998 | 0.2083 | 0.209 |
| no. of atoms | 3399 | 3280 | 6740 | 3318 | 3285 | 3357 | 3364 | 3206 | 3318 |
| macromolecules | 2951 | 2949 | 5873 | 2949 | 2944 | 2946 | 2941 | 2937 | 2940 |
| ligands | 106 | 85 | 167 | 87 | 100 | 89 | 114 | 100 | 106 |
| solvent | 342 | 246 | 700 | 282 | 241 | 322 | 309 | 169 | 272 |
| average B-factor | 31.9 | 40.5 | 28 | 28.3 | 34.6 | 28.9 | 42.9 | 48.4 | 45.1 |
| macromolecule | 30.8 | 40.1 | 26.8 | 27.9 | 34.2 | 27.9 | 42.3 | 48.5 | 44.8 |
| ligands | 30.8 | 41.9 | 30.5 | 23.6 | 32.6 | 30.3 | 40.7 | 46.7 | 44.1 |
| solvent | 41.1 | 44.6 | 37.5 | 34.5 | 39.9 | 37.4 | 49.5 | 47.3 | 48.5 |
| Ramachandran favored (%) | 98 | 96 | 97 | 97 | 97 | 98 | 97 | 98 | 98 |
| Ramachandran outliers (%) | 0 | 0.28 | 0.14 | 0 | 0 | 0 | 0 | 0 | 0 |
| rms deviations | |||||||||
| bond lengths (Å) | 0.007 | 0.008 | 0.004 | 0.007 | 0.007 | 0.007 | 0.006 | 0.008 | 0.007 |
| bond angles (deg) | 1.17 | 1.24 | 1.03 | 1.218 | 1.27 | 1.27 | 1.25 | 1.32 | 1.3 |
a
Values in parentheses are for the highest resolution shell.