4ITS
Crystal structure of the catalytic domain of human Pus1 with MES in the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2012-06-22 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 51.860, 51.860, 446.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.910 - 1.850 |
| R-factor | 0.1845 |
| Rwork | 0.182 |
| R-free | 0.22610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.539 |
| 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] | 44.910 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.067 | 0.734 |
| Number of reflections | 32146 | |
| <I/σ(I)> | 24.69 | 3.38 |
| Completeness [%] | 99.5 | 97.8 |
| Redundancy | 11.4 | 11.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 295 | 18% (w/v) PEG8000, 0.1 M MES, 0.2 M AmSO4 , pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
