Table 1.
Data processing | mHRF | hHRF-1 | hHRF-2 |
---|---|---|---|
Space group | P 21 21 2 | P 1 21 1 | P 21 21 21 |
Unit cell dimensions (Å) | a = 69.53 | a = 49.73 | a = 47.53 |
b = 99.85 | b = 58.95 | b = 77.59 | |
c = 57.47 | c = 57.73 | c = 99.32 | |
β= 99.41° | |||
Resolution (Å) | |||
Overall (outer shell) | 57.06–4.01 (4.63–4.01) | 24.53–1.75 (1.78–1.75) | 19.86–1.40 (1.43–1.40) |
Completeness (%)a | 98.5 (95.8) | 99.3 (97.3) | 99.7 (99.6) |
Multiplicitya | 11.6 (12.0) | 4.5 (3.4) | 7.4 (7.6) |
Mean ((I)/σ(I))a | 9.0 (2.1) | 11.7 (1.8) | 12.7 (1.9) |
Rmergea | 0.271 (1.892) | 0.124 (1.085) | 0.066 (1.112) |
Rpima | 0.081 (0.554) | 0.065 (0.667) | 0.025 (0.428) |
CC1/2a | 0.997 (0.877) | 0.988 (0.342) | 0.999 (0.703) |
Wilson B-factor (Å2) | 233 | 15.9 | 15.1 |
| |||
Refinement | |||
| |||
Rwork/Rfree (%)b | 29.96/34.16 | 18.84/22.09 | 17.93/19.85 |
No. of reflections | 3 125c | 32 846 | 72 706 |
RMSD | |||
Bond lengths (Å) | 0.001 | 0.004 | 0.015 |
Bond angles (°) | 0.361 | 0.632 | 1.546 |
Coordinate error (Å) | 0.48 | 0.20 | 0.14 |
No. of atoms | |||
Protein | 2 159 | 2 564 | 2 581 |
Solvent | 0 | 215 | 301 |
Other | 6d | 0 | 5e |
Ramachandran plot | |||
Favoured (%) | 97.12 | 99.05 | 98.48 |
Allowed (%) | 100 | 100 | 100 |
Values in parentheses are for the highest resolution shell.
Rfree set comprises 5% of reflections.
Data were truncated to resolution limits of 4.2 Å, 4.5 Å and 4.0 Å.
Glycerol.
Polyethylene glycol.