2UVD
The crystal structure of a 3-oxoacyl-(acyl carrier protein) reductase from Bacillus anthracis (BA3989)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-27 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.620, 120.650, 136.380 |
| Unit cell angles | 90.00, 104.42, 90.00 |
Refinement procedure
| Resolution | 27.770 - 2.400 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q7c |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.340 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.150 | 0.550 |
| Number of reflections | 82223 | |
| <I/σ(I)> | 9 | 1.6 |
| Completeness [%] | 94.3 | 64.5 |
| Redundancy | 3.1 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | HAMPTON INDEX CONDITION 88: POLYETHYLENE GLYCOL 3350 20 % (W/V) AND 0.2 M TRI-AMMONIUM CITRATE PH 7.0 |
