Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-21 |
Detector | DECTRIS PIXEL |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 208.670, 57.590, 65.560 |
Unit cell angles | 90.00, 107.39, 90.00 |
Refinement procedure
Resolution | 43.260 - 1.960 |
R-factor | 0.21553 |
Rwork | 0.214 |
R-free | 0.25179 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4uwy |
RMSD bond length | 0.007 |
RMSD bond angle | 1.156 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.260 | 2.010 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.070 | 0.480 |
Number of reflections | 51344 | |
<I/σ(I)> | 12.3 | 2.6 |
Completeness [%] | 96.0 | 95.6 |
Redundancy | 4.5 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 20 % PEG 5K MME, 0.1 M TRIS, PH 7.5, 0.2 M (NH4)2SO4 |