Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-21 |
Detector | MARRESEARCH |
Wavelength(s) | 0.8726 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 119.556, 163.248, 177.625 |
Unit cell angles | 90.00, 94.40, 90.00 |
Refinement procedure
Resolution | 88.550 - 2.790 |
R-factor | 0.207 |
Rwork | 0.205 |
R-free | 0.25220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.570 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 95.550 | 2.840 |
High resolution limit [Å] | 2.790 | 2.790 |
Rmerge | 0.010 | 0.590 |
Number of reflections | 167730 | |
<I/σ(I)> | 14.7 | 1.4 |
Completeness [%] | 99.4 | 89 |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 800 MM SODIUM CITRATE, 100 MM IMIDAZOLE (PH 8.0) |