4A03
Crystal Structure of Mycobacterium tuberculosis DXR in complex with the antibiotic FR900098 and cofactor NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2010-09-17 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 110.510, 110.510, 137.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.210 - 1.650 |
R-factor | 0.19067 |
Rwork | 0.189 |
R-free | 0.21607 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2JCZ |
RMSD bond length | 0.007 |
RMSD bond angle | 1.160 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0060) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.210 | 1.740 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.090 | 0.460 |
Number of reflections | 101922 | |
<I/σ(I)> | 14.4 | 4.6 |
Completeness [%] | 99.8 | 100 |
Redundancy | 7.8 | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | SITTING-DROP VAPOR-DIFFUSION METHOD AT 293 K. 10% (W/V) PEG 20000, 20% (V/V) MONOMETHYL ETHER PEG 550, 0.1 M MES/IMIDAZOLE, PH 6.5, AND 0.03 M EACH OF DIETHYLENEGLYCOL, TRIETHYLENEGLYCOL, TETRAETHYLENEGLYCOL AND PENTAETHYLENEGLYCOL. |