9I7H
Crystal structure of HRP-2 PWWP domain with C64S mutation - Crystal form P21 type 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97242 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.109, 70.989, 44.458 |
| Unit cell angles | 90.00, 118.26, 90.00 |
Refinement procedure
| Resolution | 37.090 - 1.540 |
| R-factor | 0.18953 |
| Rwork | 0.188 |
| R-free | 0.22690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.288 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.090 | 1.630 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.134 | 1.108 |
| Rmeas | 0.164 | 1.417 |
| Rpim | 0.093 | 0.870 |
| Total number of observations | 79562 | 9300 |
| Number of reflections | 30555 | 4208 |
| <I/σ(I)> | 3.3 | 0.9 |
| Completeness [%] | 90.6 | |
| Redundancy | 2.6 | 2.2 |
| CC(1/2) | 0.984 | 0.582 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2 M Ammonium dihydrogen phosphate 50% MPD 0.1 M TRIS pH 8.5 |
