4ZVV
Lactate dehydrogenase A in complex with a trisubstituted piperidine-2,4-dione inhibitor GNE-140
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2013-05-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.164, 81.288, 102.470 |
| Unit cell angles | 90.00, 98.31, 90.00 |
Refinement procedure
| Resolution | 38.450 - 2.200 |
| R-factor | 0.23268 |
| Rwork | 0.232 |
| R-free | 0.25947 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i10 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.136 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 38.450 |
| High resolution limit [Å] | 2.200 |
| Number of reflections | 56050 |
| <I/σ(I)> | 13.6 |
| Completeness [%] | 99.3 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | PEG3350, malonate pH 7.0 |
