2RH6
Structure of Xac NPP for evaluation of refinement methodology
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-18 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.049, 78.620, 129.953 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.900 - 1.450 |
R-factor | 0.18675 |
Rwork | 0.185 |
R-free | 0.21063 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2gsn |
RMSD bond length | 0.009 |
RMSD bond angle | 1.294 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.400 |
Rmerge | 0.136 |
Number of reflections | 110794 |
Completeness [%] | 87.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1M Bis-Tris HCl, 19% PEG 3350, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |