3G9K
Crystal structure of Bacillus anthracis transpeptidase enzyme CapD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9794 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.668, 120.621, 77.375 |
Unit cell angles | 90.00, 90.87, 90.00 |
Refinement procedure
Resolution | 40.690 - 1.790 |
R-factor | 0.19875 |
Rwork | 0.197 |
R-free | 0.24166 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ga9 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.587 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.830 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.117 | 0.555 |
Number of reflections | 83551 | |
<I/σ(I)> | 16.1 | 1.73 |
Completeness [%] | 98.0 | 82.9 |
Redundancy | 4.7 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 15% PEG 3350, 8% PEG 400, 0.05M LiSO4, 0.1M Na-Hepes pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |