4PLV
Crystal structure of ancestral apicomplexan malate dehydrogenase with lactate.
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 21 1 |
Unit cell lengths | 59.336, 136.329, 90.810 |
Unit cell angles | 90.00, 108.54, 90.00 |
Refinement procedure
Resolution | 43.388 - 1.850 |
R-factor | 0.2025 |
Rwork | 0.202 |
R-free | 0.24490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hjr |
RMSD bond length | 0.008 |
RMSD bond angle | 1.098 |
Data reduction software | XDS |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.960 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.094 | 2.140 |
Number of reflections | 112107 | |
<I/σ(I)> | 12.3 | 0.54 |
Completeness [%] | 96.0 | 78.1 |
Redundancy | 4.3 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20mg/mL protein with 2mM NADH/L-lactate; well solution: 20% (w/v) PEG-1500, 0.1M HEPES, pH7.5 |