4F7I
Structure of Isopropylmalate dehydrogenase from Thermus thermophilus in complex with IPM, Mn and NADH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 148.380, 50.720, 178.240 |
| Unit cell angles | 90.00, 93.09, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.15229 |
| Rwork | 0.152 |
| R-free | 0.19637 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y41 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.993 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.059 | |
| <I/σ(I)> | 10.3 | 1.92 |
| Completeness [%] | 97.0 | 95.4 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20 % PEG 6000, 10 % ethanol, 0.1 M MOPS-K pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
