4WUO
Structure of the E270A Mutant 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 | 2012-03-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 50.180, 143.250, 174.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.050 |
| R-factor | 0.1731 |
| Rwork | 0.170 |
| R-free | 0.22880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y41 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.726 |
| Data reduction software | XDS (11.0.02) |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 2.100 | ||
| High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
| Rmerge | 0.072 | 0.017 | 0.611 |
| Rmeas | 0.080 | 0.020 | 0.682 |
| Total number of observations | 207793 | ||
| Number of reflections | 39957 | 481 | 2875 |
| <I/σ(I)> | 17.23 | 50.19 | 2.71 |
| Completeness [%] | 99.6 | 92.3 | 97.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 298 | 20 % PEG 6000, 10 % ethanol, 0.1 M MOPS-K pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
