4I1I
Crystal structure of a putative Cytosolic malate dehydrogenase from Leishmania major Friedlin in complex with NAD
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 | 2012-11-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.820, 65.130, 77.490 |
| Unit cell angles | 90.00, 110.67, 90.00 |
Refinement procedure
| Resolution | 48.500 - 1.500 |
| R-factor | 0.1459 |
| Rwork | 0.145 |
| R-free | 0.16550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4h7p |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.664 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.7.0032) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.540 | |
| High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
| Rmerge | 0.059 | 0.044 | 0.350 |
| Number of reflections | 95941 | 1131 | 6711 |
| <I/σ(I)> | 12.27 | 24.22 | 2.78 |
| Completeness [%] | 99.2 | 98.1 | 94.2 |
| Redundancy | 3.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 290 | EmeraldBio PACT screen a3: 25% PEG 1500, 100mM SPG buffer pH 6.0; LemaA.01212.a.A1.P001468 at 15mg/ml + 2.5mM NAD, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
