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 |
