3M8U
Crystal structure of glutathione-binding protein A (GbpA) from Haemophilus parasuis SH0165 in complex with glutathione disulfide (GSSG)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9714 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.520, 68.470, 142.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.995 - 1.850 |
R-factor | 0.1598 |
Rwork | 0.158 |
R-free | 0.18830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dpp |
RMSD bond length | 0.006 |
RMSD bond angle | 0.991 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | PHENIX ((phenix.refine: 1.6.1_340)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 48793 | |
<I/σ(I)> | 19.9 | 3.19 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 7.29 | 7.07 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.1M magnesium chloride, 0.1M sodium citrate pH 5.0, 15% w/v PEG 4000 or 4% tacsimate pH4.0, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |