Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-06 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.45869 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.477, 72.683, 83.042 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.410 - 2.000 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v62 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
Data reduction software | XDS (MAY 1) |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.410 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.065 | 0.693 |
Rpim | 0.031 | 0.320 |
Number of reflections | 22504 | 1633 |
<I/σ(I)> | 13.8 | 2.8 |
Completeness [%] | 98.4 | 97.9 |
Redundancy | 5.3 | 5.5 |
CC(1/2) | 0.998 | 0.891 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 22.5% PEG 3350; 20 MM MAGNESIUM, CHLORIDE, 0.1M CHC BUFFER pH 7.5, STABILIZED WITH 20% (V/V) GLYCEROL |