6AP9
Crystal Structure of hGSTP1-1 with S-nitrosation of Cys101
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 78.148, 90.052, 68.872 |
Unit cell angles | 90.00, 98.67, 90.00 |
Refinement procedure
Resolution | 29.318 - 1.550 |
R-factor | 0.1462 |
Rwork | 0.146 |
R-free | 0.18140 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3pgt |
RMSD bond length | 0.019 |
RMSD bond angle | 1.769 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.610 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.880 | 0.400 |
Rmeas | 0.104 | 0.469 |
Rpim | 0.054 | 0.243 |
Number of reflections | 68229 | |
<I/σ(I)> | 8.8 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.7 | 3.6 |
CC(1/2) | 0.872 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | PEG 8000, MES, Ca(OAc)2 |