7LUB
Crystal structure of recombinant human fumarase in complex with D-2-amino-3-phosphono-propionic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS SIRUS BEAMLINE MANACA |
| Synchrotron site | LNLS SIRUS |
| Beamline | MANACA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-03 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.3236 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 190.903, 190.903, 116.243 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.850 - 2.150 |
| R-factor | 0.1869 |
| Rwork | 0.186 |
| R-free | 0.20880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5upp |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.266 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.850 | 2.200 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 67921 | 4478 |
| <I/σ(I)> | 15 | 1.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 39.2 | |
| CC(1/2) | 0.999 | 0.458 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 100 mM Hepes pH 7.5, 1% v/v 2-methylpentanediol and 16% m/v PEG 10 K |
