3H5E
LeuD_1-156 small subunit of isopropylmalate isomerase (Rv2987c) from mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0724 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 64.620, 64.620, 419.820 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.2351 |
| Rwork | 0.234 |
| R-free | 0.26852 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.438 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.067 | 0.436 |
| Number of reflections | 36296 | |
| <I/σ(I)> | 21.8 | 2.2 |
| Completeness [%] | 98.1 | 92.3 |
| Redundancy | 5.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 1M sodium citrate tribasic, 0.1M sodium cacodylate pH 6.5, VAPOR DIFFUSION, temperature 293K |
