4HNU
crystal structure of K442E mutant of S. aureus Pyruvate carboxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-04 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 96.569, 258.520, 126.898 |
| Unit cell angles | 90.00, 109.60, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.000 |
| R-factor | 0.197 |
| Rwork | 0.194 |
| R-free | 0.26200 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.240 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.065 | 0.429 |
| Number of reflections | 115003 | |
| <I/σ(I)> | 15.5 | 2.5 |
| Completeness [%] | 98.5 | 99.6 |
| Redundancy | 2.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 294 | 200 mM ammonium tartrate and 20% (w/v) PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
