3HB9
Crystal Structure of S. aureus Pyruvate Carboxylase A610T Mutant
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 | 2008-04-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 96.566, 256.763, 126.485 |
| Unit cell angles | 90.00, 109.65, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.900 |
| R-factor | 0.222 |
| Rwork | 0.220 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.956 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | COMO (1.2) |
| Refinement software | REFMAC (5.2.0019) |
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 | 0.075 | 0.045 | 0.422 |
| Number of reflections | 124542 | ||
| <I/σ(I)> | 12.217 | ||
| Completeness [%] | 92.5 | 99 | 84 |
| Redundancy | 2.6 | 2.9 | 2.5 |
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 |
