3AZ8
Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Plasmodium falciparum in complex with NAS21
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 | 2011-02-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | I 41 |
| Unit cell lengths | 218.990, 218.990, 157.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.620 - 3.100 |
| R-factor | 0.20868 |
| Rwork | 0.206 |
| R-free | 0.26611 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z6b |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.203 |
| 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] | 51.980 | 3.270 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Number of reflections | 66984 | |
| <I/σ(I)> | 12.7 | 2.4 |
| Completeness [%] | 99.6 | 99 |
| Redundancy | 8.1 | 6.1 |
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 |
