3WBW
Crystal structure of Gox0644 in complex with NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.989, 75.778, 125.604 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.230 - 1.850 |
R-factor | 0.21814 |
Rwork | 0.216 |
R-free | 0.25658 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.589 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 46500 | |
Completeness [%] | 99.5 | 100 |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 293 | PEG3350, Li2SO4, Bis-tris, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |