6ZNE
MaeB PTA domain R535E mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-03 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 129.420, 183.400, 120.237 |
Unit cell angles | 90.00, 117.03, 90.00 |
Refinement procedure
Resolution | 69.657 - 2.393 |
R-factor | 0.2175 |
Rwork | 0.215 |
R-free | 0.26020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1td9 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.415 |
Data reduction software | XDS |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 97.603 | 2.500 |
High resolution limit [Å] | 2.390 | 2.390 |
Number of reflections | 96539 | 4863 |
<I/σ(I)> | 8.5 | |
Completeness [%] | 98.4 | |
Redundancy | 4.6 | |
CC(1/2) | 0.990 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 289 | 0.1M Hepes pH 7.5 0.1M Magnesium Chloride 10% PEG 400 15% PEG smear medium 5% propan-2-ol |