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 |
