4ALN
Crystal structure of S. aureus FabI (P32)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-02-05 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 32 |
| Unit cell lengths | 123.780, 123.780, 190.110 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.280 - 3.050 |
| R-factor | 0.20509 |
| Rwork | 0.203 |
| R-free | 0.24554 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4all |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.482 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.200 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.120 | 0.500 |
| Number of reflections | 61623 | |
| <I/σ(I)> | 6.76 | 2.12 |
| Completeness [%] | 99.3 | 99.7 |
| Redundancy | 2.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.61 M NH4H2PO4, 9% T-BUTANOL, 0.01 M EDTA PH 7.0 |
