8QWR
Crystal structure of CotB2 variant V80L
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.320, 100.570, 108.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.830 - 1.700 |
R-factor | 0.1728 |
Rwork | 0.172 |
R-free | 0.19680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4omg |
RMSD bond length | 0.010 |
RMSD bond angle | 1.054 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmeas | 0.061 | 0.521 |
Number of reflections | 72214 | 11239 |
<I/σ(I)> | 22.9 | 5.2 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 13 | |
CC(1/2) | 0.990 | 0.984 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10 | 291.15 | 0.1M CAPS pH 10.0, 19% PEG8000 |