6BAL
2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae in Complex with L-Malate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-04-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 |
| Unit cell lengths | 74.108, 78.079, 114.029 |
| Unit cell angles | 71.09, 75.44, 68.06 |
Refinement procedure
| Resolution | 29.750 - 2.100 |
| R-factor | 0.17202 |
| Rwork | 0.170 |
| R-free | 0.21869 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hhp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.359 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.093 | 0.662 |
| Rmeas | 0.108 | 0.770 |
| Rpim | 0.054 | 0.392 |
| Number of reflections | 126522 | 6257 |
| <I/σ(I)> | 13.4 | 2.1 |
| Completeness [%] | 98.2 | 97.2 |
| Redundancy | 4 | 3.9 |
| CC(1/2) | 0.665 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | Protein: 20.0 mg/ml, 0.3M Sodium chloride, 0.01M HEPES pH 7.5; Screen: 0.2M Ammonium formate, 20% (w/v) PEG3350, 0.25mM DL-Malic acid; Cryo: paratone. |
