3QBE
Crystal structure of the 3-Dehydroquinate Synthase (aroB) from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2010-03-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00000 |
Spacegroup name | I 41 |
Unit cell lengths | 140.318, 140.318, 38.408 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.070 |
R-factor | 0.20376 |
Rwork | 0.201 |
R-free | 0.24806 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qbd |
RMSD bond length | 0.024 |
RMSD bond angle | 1.970 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.220 | 2.140 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.071 | 0.492 |
Number of reflections | 23186 | |
<I/σ(I)> | 22.5 | 3.65 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 5.7 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.8M sodium formate, 20% PEG 2000 MME, 0.1M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |