3H5H
LeuD_1-186 small subunit of isopropylmalate isomerase (Rv2987c) from mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.873 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 90.480, 70.290, 59.650 |
Unit cell angles | 90.00, 124.05, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
R-factor | 0.22788 |
Rwork | 0.226 |
R-free | 0.26863 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h5e |
RMSD bond length | 0.007 |
RMSD bond angle | 1.074 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.000 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.171 | 0.447 |
Number of reflections | 10727 | |
<I/σ(I)> | 7.6 | 2.2 |
Completeness [%] | 98.9 | 92.3 |
Redundancy | 4.6 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 0.1M NaCl, 0.1M Hepes pH 7.0, 1.2M Ammonium sulphate, VAPOR DIFFUSION, temperature 293K |