3AZA
Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Plasmodium falciparum in complex with NAS91-10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-30 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | I 41 |
| Unit cell lengths | 219.210, 219.210, 156.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.910 - 2.700 |
| R-factor | 0.22428 |
| Rwork | 0.222 |
| R-free | 0.27332 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z6b |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.114 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.910 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 101381 | |
| <I/σ(I)> | 8.6 | 3.1 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.6 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 289 | 20-25% PEG 8000, 0.1M MES, 0.1-0.3M KH2PO4, 15-20% glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
