8CHT
Crystal structure of human PURA (fragment Glu57-Glu212, PUR repeat I and II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.920, 58.140, 81.940 |
| Unit cell angles | 90.00, 100.65, 90.00 |
Refinement procedure
| Resolution | 50.010 - 1.950 |
| R-factor | 0.1772 |
| Rwork | 0.174 |
| R-free | 0.23110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.314 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.010 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 43138 | 3147 |
| <I/σ(I)> | 12.1 | 2.2 |
| Completeness [%] | 98.0 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.998 | 0.743 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.2 | 292 | 0.1 M Tris buffer pH 8.2, 0.2 M sodium acetate, and 30% (w/v) PEG 4,000 |
