3LAC
Crystal structure of Bacillus anthracis pyrrolidone-carboxylate peptidase, pcP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-11-29 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 78.550, 78.550, 141.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.300 - 2.000 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.22300 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.646 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.300 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.102 | 0.526 |
| Number of reflections | 30518 | |
| <I/σ(I)> | 17.8 | 3 |
| Completeness [%] | 99.0 | 93.8 |
| Redundancy | 10.5 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 20% PEG 3350, 1% PEG 5KMME, 200mM magnesium chloride, 100mM Tris pH 8.5, 0.5% Tacsimate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
