4IGE
Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 7-(4-Chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 131.487, 131.487, 82.858 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.743 - 2.150 |
R-factor | 0.1639 |
Rwork | 0.162 |
R-free | 0.20150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nhg |
RMSD bond length | 0.010 |
RMSD bond angle | 1.315 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.000 | 2.210 |
High resolution limit [Å] | 2.150 | 2.150 |
Number of reflections | 39967 | |
<I/σ(I)> | 9.8 | 2.8 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 7.35 | 7.36 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 0.1M MES, 2.35M ammonium sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |