3TL2
Crystal structure of Bacillus anthracis str. Ames malate dehydrogenase in closed conformation.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9772 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.181, 68.377, 142.919 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.090 - 1.700 |
| R-factor | 0.15923 |
| Rwork | 0.157 |
| R-free | 0.19764 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uxj |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.749 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.076 | 0.709 |
| Number of reflections | 36979 | |
| <I/σ(I)> | 27.8 | 2.2 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 20% w/v PEG 3350, 0.2M Na Thiocyanate, 2% w/v Hexandiol, pH 7.0, VAPOR DIFFUSION, temperature 293K |
