1XIV
Plasmodium falciparum lactate dehydrogenase complexed with 2-({4-chloro-[hydroxy(methoxy)methyl]cyclohexyl}amino)ethane-1,1,2-triol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-05-21 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.488 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 80.568, 85.393, 92.263 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.360 - 1.700 |
| R-factor | 0.14561 |
| Rwork | 0.144 |
| R-free | 0.17884 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ldg |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.435 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.780 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 33657 | |
| <I/σ(I)> | 23.2 | 5.3 |
| Completeness [%] | 95.3 | 92.2 |
| Redundancy | 4.5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | MPD, Hepes, Imidazole, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
