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 |