6K5A
Crystal structure of the E148D/R147A/F317A mutant in presence of 200 mM NaBr
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 77.36 |
Detector technology | PIXEL |
Collection date | 2019-04-08 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.92 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 232.184, 101.338, 172.074 |
Unit cell angles | 90.00, 132.10, 90.00 |
Refinement procedure
Resolution | 39.686 - 3.162 |
R-factor | 0.2245 |
Rwork | 0.222 |
R-free | 0.27570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ene |
RMSD bond length | 0.010 |
RMSD bond angle | 1.237 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.700 | 3.210 |
High resolution limit [Å] | 3.160 | 3.160 |
Rmerge | 0.081 | 0.615 |
Number of reflections | 98471 | 4868 |
<I/σ(I)> | 20.2 | 1.56 |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.5 | 3.6 |
CC(1/2) | 0.980 | 0.795 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 295 | PEG 400 25% (V/V), 200 mM NaBr 100 mM Glycine |