Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.730, 76.760, 147.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.162 - 2.500 |
Rwork | 0.209 |
R-free | 0.24870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nob |
RMSD bond length | 0.006 |
RMSD bond angle | 1.782 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.570 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 17139 | 1259 |
<I/σ(I)> | 7.64 | |
Completeness [%] | 99.9 | |
Redundancy | 6.279 | |
CC(1/2) | 0.992 | 0.616 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | 7.5-25% PEG 6000, Bicine pH=9.0 |