4J37
Crystal structure of the catalytic domain of human Pus1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-11 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 51.950, 51.950, 445.490 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.760 - 1.750 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID: 4ITS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.231 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.106 | 1.353 |
| Number of reflections | 37347 | |
| <I/σ(I)> | 19.17 | 1.33 |
| Completeness [%] | 98.4 | 89.8 |
| Redundancy | 11.45 | 4.78 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 295 | 18% PEG8000, 0.1 M MES, 0.3 M AmSO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
