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 | 2015-02-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97947 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 107.880, 130.780, 80.789 |
Unit cell angles | 90.00, 110.85, 90.00 |
Refinement procedure
Resolution | 50.010 - 2.100 |
R-factor | 0.233 |
Rwork | 0.232 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u7q |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 70560 | |
<I/σ(I)> | 4 | 1.3 |
Completeness [%] | 57.9 | 60.8 |
Redundancy | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 8 | 298 | 30% PEG4000, 100 mM Tris-HCl, pH 8.0, 170-190 mM sodium molybdate, 1 mM dithionite |