4XXV
Crystal structure of 3-isopropylmalate dehydrogenase from Burkholderia thailandensis in complex with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-01-15 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.350, 60.900, 105.050 |
| Unit cell angles | 90.00, 117.85, 90.00 |
Refinement procedure
| Resolution | 43.612 - 1.700 |
| R-factor | 0.1495 |
| Rwork | 0.149 |
| R-free | 0.17380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | apo structure 4iwh |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.325 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.740 | |
| High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
| Rmerge | 0.043 | 0.021 | 0.286 |
| Rmeas | 0.046 | 0.022 | 0.336 |
| Total number of observations | 614892 | ||
| Number of reflections | 86107 | 1054 | 5590 |
| <I/σ(I)> | 30.23 | 97.52 | 4.18 |
| Completeness [%] | 96.8 | 98 | 85.6 |
| Redundancy | 7.1 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Microlytics MCSG1 B7: 25.5% PEG 4000, 15% glycerol, 170mM Ammonium acetate; ButhA.00092.a.B1.PS0xxxx at 12.64 mg/ml; the drop was overlayed with 5ul 5mM NAD in reservoir and soaked over night; cryo: direct; tray 257491b7, puck tiz0-3 |
