4M5P
OYE2.6 Y78W, I113C
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 | 2012-07-23 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.00 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 126.487, 126.487, 123.307 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.040 - 1.503 |
R-factor | 0.1438 |
Rwork | 0.141 |
R-free | 0.16970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tjl |
RMSD bond length | 0.005 |
RMSD bond angle | 1.086 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.040 | |
High resolution limit [Å] | 1.420 | 1.420 |
Rmerge | 0.046 | |
Number of reflections | 111288 | |
<I/σ(I)> | 15.7 | |
Completeness [%] | 99.9 | 99 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 2.4M Sodium malonate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |