6AOO
2.15 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-23 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.07822 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 107.688, 94.119, 73.215 |
Unit cell angles | 90.00, 121.70, 90.00 |
Refinement procedure
Resolution | 29.680 - 2.150 |
R-factor | 0.18516 |
Rwork | 0.182 |
R-free | 0.23732 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hhp |
RMSD bond length | 0.009 |
RMSD bond angle | 1.429 |
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 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.122 | 0.749 |
Rpim | 0.039 | 0.229 |
Number of reflections | 33055 | 1664 |
<I/σ(I)> | 18.5 | 4.3 |
Completeness [%] | 97.5 | 99.3 |
Redundancy | 10.9 | 11.4 |
CC(1/2) | 0.876 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 20.0 mg/mL protein in 0.3 M sodium chloride, 0.01 M HEPES, pH 7.5, screen: 0.1 M lithium sulfate, 0.1 M ammonium sulfate, 0.1 M HEPES, pH 7.5, 20% w/v PEG3350, 0.25 mM D-Malic acid, cryoprotectant: paratone |