5UPP
Crystal structure of human fumarate hydratase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-06 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 125.434, 148.006, 129.761 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.846 - 1.800 |
| R-factor | 0.1578 |
| Rwork | 0.156 |
| R-free | 0.18950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d6b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.871 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX (1.11.1-2575-000) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.790 | 48.786 | 1.900 |
| High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
| Rmerge | 0.050 | 0.669 | |
| Rmeas | 0.151 | 0.056 | 0.743 |
| Rpim | 0.064 | 0.025 | 0.321 |
| Number of reflections | 111411 | ||
| <I/σ(I)> | 5.1 | 6 | 1.1 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 5.3 | 5.1 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.1 M HEPES pH 7.5 1% (v/v) MPD 4% (w/v) PEG 10000 |
