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 |