Table 1. Crystallization conditions and diffraction data and processing statistics.
Values in parentheses are for the highest resolution shell.
| Apoenzyme | Enzyme + ADP + spectinomycin | Enzyme + CKI-7 | |
|---|---|---|---|
| Crystallization conditions | 0.1 M MES pH 6.5, 30% PEG 200, 3% PEG 3000, 3% aminocaproic acid, 3% DMSO | 0.1 M bicine pH 8.0, 8% PEG 8000, 0.2 M magnesium acetate, 10 mM manganese chloride | 0.1 M HEPES pH 7.0, 10% MPD |
| Space group | P21 | P3121/P3221 | P21 |
| Unit-cell parameters (Å, °) | a = 47.4, b = 70.7, c = 99.3, β = 95.9 | a = b = 75.0, c = 140.1 | a = 47.7, b = 70.4, c = 100.2, β = 96.4 |
| VM (Å3 Da−1) | 2.09 | 2.87 | 2.11 |
| Molecules per AU | 2 | 1 | 2 |
| Solvent content (%) | 41.3 | 57.1 | 41.7 |
| Radiation source | BNL-NSLS X8C | BNL-NSLS X8C | Rotating anode |
| Wavelength (Å) | 1.100 | 1.008 | 1.5418 |
| Resolution range (Å) | 50–1.7 (1.76–1.7) | 50–2.4 (2.49–2.4) | 50-2.7 (2.8–2.7) |
| Unique reflections | 71575 (7004) | 17846 (1785) | 17847 (2113) |
| Redundancy | 4.3 (3.5) | 9.3 (6.5) | 3.5 (2.7) |
| Completeness (%) | 99.3 (97.9) | 95.3 (87.5) | 96.4 (78.4) |
| I/σ(I) | 16.3 (3.9) | 15.0 (4.2) | 8.1 (3.0) |
| Rmerge† (%) | 6.1 (43.4) | 9.0 (37.1) | 6.3 (25.0) |
†
R
merge = 
, where Ii is the intensity of reflection i and 〈Ii〉 is the average intensity for that reflection.