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 |