3U1H
Crystal structure of IPMDH from the last common ancestor of Bacillus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-09-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 71.266, 75.985, 171.225 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.430 - 2.800 |
| R-factor | 0.2367 |
| Rwork | 0.233 |
| R-free | 0.30880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1v53 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.550 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC (refmac_5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.549 | 44.549 | 2.950 |
| High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
| Rmerge | 0.037 | 0.566 | |
| Rmeas | 0.041 | 0.623 | |
| Rpim | 0.017 | 0.251 | |
| Total number of observations | 4402 | 14240 | |
| Number of reflections | 22393 | ||
| <I/σ(I)> | 12.4 | 36.5 | 2.4 |
| Completeness [%] | 95.2 | 98.7 | 87.8 |
| Redundancy | 5 | 5.3 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 200mM diammonium hydrogen citrate, 2mM MgSO4, 15% PEG 3350, 4% glycerol, pH 5.5, temperature 291K, VAPOR DIFFUSION, HANGING DROP |
