3HBL
Crystal Structure of S. aureus Pyruvate Carboxylase T908A Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-19 |
| Detector | r |
| Wavelength(s) | 0.981 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 96.532, 257.154, 130.318 |
| Unit cell angles | 90.00, 114.35, 90.00 |
Refinement procedure
| Resolution | 29.950 - 2.710 |
| R-factor | 0.23 |
| Rwork | 0.228 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.087 |
| 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 | 2.800 |
| High resolution limit [Å] | 2.700 | 5.800 | 2.700 |
| Rmerge | 0.087 | 0.058 | 0.437 |
| Number of reflections | 135160 | ||
| <I/σ(I)> | 10.833 | ||
| Completeness [%] | 86.6 | 97.5 | 77.5 |
| Redundancy | 3 | 3.3 | 3.1 |
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 |
