4AJP
Human LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol- 6yl)amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-12-15 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.980, 136.780, 83.790 |
| Unit cell angles | 90.00, 102.31, 90.00 |
Refinement procedure
| Resolution | 56.850 - 2.380 |
| R-factor | 0.16808 |
| Rwork | 0.166 |
| R-free | 0.21467 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i10 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.366 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.900 | 2.400 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.120 | 0.540 |
| Number of reflections | 59591 | |
| <I/σ(I)> | 8.1 | 2.3 |
| Completeness [%] | 97.0 | 88.7 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 1.6M AMMONIUM SULPHATE, 0.1M MES PH 6.5, 10% 1, 4-DIOXANE |
