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 |