4H6K
W116I mutant of OYE1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-15 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 140.930, 140.930, 42.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.513 - 1.550 |
R-factor | 0.1844 |
Rwork | 0.182 |
R-free | 0.20430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rnd |
RMSD bond length | 0.006 |
RMSD bond angle | 1.047 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.320 | 1.630 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.080 | 0.916 |
Number of reflections | 62580 | |
<I/σ(I)> | 14.2 | 2.1 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 9.1 | 8.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 277 | 0.1M hepes, 0.2M MgCl2, peg400 35%, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K |