3WTC
Crystal structure of Gox2036
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 | 2012-02-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 117.840, 58.098, 67.246 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.220 - 1.650 |
R-factor | 0.14907 |
Rwork | 0.148 |
R-free | 0.17376 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3v2g |
RMSD bond length | 0.020 |
RMSD bond angle | 2.071 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.690 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 53193 | |
Completeness [%] | 99.8 | 99.46 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | PEG3350, HEPES, Proline, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |