3H2Y
Crystal structure of YqeH GTPase from Bacillus anthracis with dGDP bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.12000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 83.130, 58.990, 77.720 |
| Unit cell angles | 90.00, 99.38, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.21664 |
| Rwork | 0.215 |
| R-free | 0.24210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ec1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.215 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.043 | 0.382 |
| Number of reflections | 34009 | |
| <I/σ(I)> | 19.65 | 3.93 |
| Completeness [%] | 98.4 | 97.7 |
| Redundancy | 4.09 | 4.13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.8 | 298 | 0.1M Na Citrate pH 5.8, 25% PEG 3350, 4% Isopropanal, 2mM d-GTP, VAPOR DIFFUSION, temperature 298K |
