Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-09-12 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.822, 72.256, 122.313 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.060 - 2.000 |
R-factor | 0.196 |
Rwork | 0.193 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4YIB |
RMSD bond length | 0.007 |
RMSD bond angle | 0.963 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.060 | 2.070 |
High resolution limit [Å] | 1.955 | 2.000 |
Rmerge | 0.063 | |
Number of reflections | 40499 | |
<I/σ(I)> | 16.4 | 1.47 |
Completeness [%] | 98.6 | 94.2 |
Redundancy | 7.74 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 33% (W/V) PEG 6000, 0.01 M TRI SODIUM CITRATE., PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K |