2UZF
Crystal structure of Staphylococcus aureus 1,4-dihydroxy-2-naphthoyl CoA synthase (MenB) in complex with acetoacetyl CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-20 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 120.008, 120.008, 120.008 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.820 - 2.900 |
| R-factor | 0.25 |
| Rwork | 0.247 |
| R-free | 0.32800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q52 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.138 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.820 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.090 | 0.450 |
| Number of reflections | 13061 | |
| <I/σ(I)> | 7.8 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.9 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.7 | 0.1M NA HEPES PH 7.5 1.6M AMMONIUM SULPHATE 0.2M SODIUM CHLORIDE |
