3HO8
Crystal Structure of S. aureus Pyruvate Carboxylase in complex with Coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 96.586, 164.466, 373.346 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.970 - 2.900 |
| R-factor | 0.268 |
| Rwork | 0.264 |
| R-free | 0.32800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.278 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | COMO |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 6.230 | 2.900 |
| Rmerge | 0.139 | 0.108 | 0.478 |
| Number of reflections | 124420 | ||
| <I/σ(I)> | 8.65 | ||
| Completeness [%] | 95.5 | 99.5 | 99.9 |
| Redundancy | 6.9 | 11.5 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% PEG 3350, 0.2M ammonium tartrate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
