3AWD
Crystal structure of gox2181
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 | 2010-06-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.075 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.273, 121.416, 136.546 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.800 |
R-factor | 0.15224 |
Rwork | 0.151 |
R-free | 0.18448 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.189 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.910 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.095 | 0.503 |
Number of reflections | 92746 | |
<I/σ(I)> | 24.3 | 4.03 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 7.3 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 293 | PEG 8K MG, HEPES, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K |