7OEQ
Mevalonyl-coenzyme A hydratase (Sid H)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2021-03-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 107.564, 107.564, 48.326 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.930 - 1.360 |
| R-factor | 0.1504 |
| Rwork | 0.149 |
| R-free | 0.18090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MrBUMP 3kqf_F1_SCLPTR |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.788 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.580 | 46.580 | 1.380 |
| High resolution limit [Å] | 1.360 | 7.450 | 1.360 |
| Rmerge | 0.088 | 0.040 | 2.073 |
| Rmeas | 0.096 | 0.045 | 2.265 |
| Rpim | 0.038 | 0.019 | 0.900 |
| Total number of observations | 423091 | 2742 | 21104 |
| Number of reflections | 69076 | 469 | 3411 |
| <I/σ(I)> | 8.6 | 24.2 | 0.6 |
| Completeness [%] | 99.9 | 98.8 | 100 |
| Redundancy | 6.1 | 5.8 | 6.2 |
| CC(1/2) | 0.997 | 0.993 | 0.361 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.22 M Sodium formate, 0.1 M Bis-Tris propane pH 6.5, 17 % w/v PEG 3350 |
