Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-04-19 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 59.308, 59.308, 178.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.400 - 2.200 |
R-factor | 0.20056 |
Rwork | 0.198 |
R-free | 0.24702 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zos |
RMSD bond length | 0.009 |
RMSD bond angle | 1.301 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.400 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.100 | 0.960 |
Number of reflections | 17062 | |
<I/σ(I)> | 17.5 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11 | 9.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 21% PEG3350, 0.1M BIS-TRIS-PROPANE PH 7.2, 0.2M SODIUM/POTASSIUM PHOSPHATE |