7DBJ
Crystal structure of human LDHB in complex with NADH, oxamate, and AXKO-0046
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-10 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.389, 137.577, 84.909 |
| Unit cell angles | 90.00, 109.26, 90.00 |
Refinement procedure
| Resolution | 43.496 - 1.551 |
| Rwork | 0.170 |
| R-free | 0.19170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i0z |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.549 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rpim | 0.042 | 0.149 |
| Number of reflections | 183405 | 8628 |
| <I/σ(I)> | 20.3 | 4 |
| Completeness [%] | 99.2 | 93.8 |
| Redundancy | 4.1 | 3.5 |
| CC(1/2) | 0.989 | 0.923 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | PEG 3350, potassium formate, HEPES |
