6Z38
TodX deltaS2S3 mutant monoaromatic hydrocarbon channel
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 80.107, 115.928, 172.807 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.140 - 2.900 |
R-factor | 0.2558 |
Rwork | 0.253 |
R-free | 0.31750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3brz |
RMSD bond length | 0.010 |
RMSD bond angle | 1.330 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.140 | 3.080 |
High resolution limit [Å] | 2.900 | 2.900 |
Rpim | 0.034 | 0.580 |
Number of reflections | 18258 | 2917 |
<I/σ(I)> | 13.2 | 1.4 |
Completeness [%] | 100.0 | |
Redundancy | 7.4 | |
CC(1/2) | 0.994 | 0.580 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.05 M Na-citrate (pH 4.5), 0.1 M Li2SO4, 30% PEG 400 |