6BAV
Crystal Structure of GltPh R397C in complex with S-Benzyl-L-Cysteine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-09-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.953700 |
Spacegroup name | P 61 |
Unit cell lengths | 114.659, 114.659, 321.449 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 3.700 |
R-factor | 0.2472 |
Rwork | 0.247 |
R-free | 0.25910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nww |
RMSD bond length | 0.007 |
RMSD bond angle | 0.995 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.070 | 3.900 |
High resolution limit [Å] | 3.700 | 3.700 |
Rmerge | 0.078 | 0.552 |
Rmeas | 0.091 | 0.653 |
Rpim | 0.046 | 0.335 |
Number of reflections | 24809 | 12538 |
<I/σ(I)> | 8.7 | 1.7 |
Completeness [%] | 97.5 | 98.9 |
Redundancy | 3.5 | 3.4 |
CC(1/2) | 0.997 | 0.833 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 280 | 50 mM citric acid 50 mM Disodium phosphate 100 mM Lithium sulfate 15-23% PEG1000 |