4PLY
Crystal structure of ancestral apicomplexan malate dehydrogenase with malate.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 12.3.1 |
Synchrotron site | ALS |
Beamline | 12.3.1 |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2012-09-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.115866 |
Spacegroup name | P 1 |
Unit cell lengths | 59.311, 90.688, 136.304 |
Unit cell angles | 90.01, 90.01, 71.44 |
Refinement procedure
Resolution | 45.435 - 1.900 |
R-factor | 0.1904 |
Rwork | 0.189 |
R-free | 0.23810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hjr |
RMSD bond length | 0.003 |
RMSD bond angle | 0.740 |
Data reduction software | XDS |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.010 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.122 | 2.230 |
Number of reflections | 198358 | |
<I/σ(I)> | 9.2 | 0.56 |
Completeness [%] | 93.2 | 71.5 |
Redundancy | 3.8 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20mg/mL protein with 2mM NADH/L-malate; well solution: 20% (w/v) PEG-1500, 0.1M HEPES, pH7.5 |