4IWH
Crystal structure of a 3-isopropylmalate dehydrogenase from Burkholderia pseudomallei
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Detector technology | CCD |
| Collection date | 2013-01-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.283574 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.600, 60.100, 103.190 |
| Unit cell angles | 90.00, 112.86, 90.00 |
Refinement procedure
| Resolution | 19.630 - 1.750 |
| R-factor | 0.1693 |
| Rwork | 0.168 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a05 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.408 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 | |
| High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
| Rmerge | 0.037 | 0.021 | 0.260 |
| Number of reflections | 79884 | 787 | 5682 |
| <I/σ(I)> | 24.19 | 50.24 | 4.64 |
| Completeness [%] | 98.8 | 80.5 | 95.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | ButhA.00092.a.B1 PS01671 at 23.6 mg/mL against MCSG1 screen condition d3, 0.2 M MgCl2, 0.1 M TrisHCl pH 8.5, 30% PEG 400, crystal tracking ID 240482d3, unique puck ID quk9-15, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
