4L8V
Crystal Structure of A12K/D35S mutant myo-inositol dehydrogenase from Bacillus subtilis with bound cofactor NADP
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 | 2010-08-18 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.630, 190.290, 90.240 |
| Unit cell angles | 90.00, 100.31, 90.00 |
Refinement procedure
| Resolution | 47.572 - 2.090 |
| R-factor | 0.1903 |
| Rwork | 0.188 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mz0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.108 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 95.145 | 47.573 | 2.200 |
| High resolution limit [Å] | 2.090 | 6.610 | 2.090 |
| Rmerge | 0.039 | 0.330 | |
| Number of reflections | 98648 | ||
| <I/σ(I)> | 17 | 16.2 | 2.3 |
| Completeness [%] | 99.7 | 95.2 | 98.9 |
| Redundancy | 7.6 | 7.3 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8 | 298 | 0.1 M magnesium formate, 15% PEG3350, pH 8.0, MICROBATCH, temperature 298K |
