3NTO
Crystal structure of K97V mutant myo-inositol dehydrogenase from Bacillus subtilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97934 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 52.270, 119.500, 128.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.670 - 1.912 |
R-factor | 0.1696 |
Rwork | 0.168 |
R-free | 0.20930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | apo-IDH |
RMSD bond length | 0.007 |
RMSD bond angle | 1.023 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.6.1_357) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.960 | |
High resolution limit [Å] | 1.910 | 8.550 | 1.910 |
Rmerge | 0.036 | 0.027 | 0.137 |
Number of reflections | 31224 | 334 | 2002 |
<I/σ(I)> | 33.41 | 50.2 | 9 |
Completeness [%] | 98.7 | 80.5 | 86.8 |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.5 | 277 | 0.2M CaCl2, 0.1M Hepes pH 7.5, 14% PEG 400, microbatch, temperature 277K |