Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 60.580, 173.410, 215.909 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.280 - 1.900 |
R-factor | 0.17402 |
Rwork | 0.172 |
R-free | 0.21258 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bhl |
RMSD bond length | 0.015 |
RMSD bond angle | 1.786 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.790 | 0.120 |
Number of reflections | 40413 | 5400 |
<I/σ(I)> | 11 | 3 |
Completeness [%] | 95.3 | 91.3 |
Redundancy | 5.7 | 5.7 |
CC(1/2) | 1.000 | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 293 | 20% w/v PEG 3350, 0.2 M potassium formate |