6N0X
Crystal structure of Anaerolinea thermophila mevalonate 5-phosphate decarboxylase complexed with (R)-MVAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.600, 135.630, 105.700 |
| Unit cell angles | 90.00, 97.72, 90.00 |
Refinement procedure
| Resolution | 37.566 - 1.440 |
| R-factor | 0.1734 |
| Rwork | 0.172 |
| R-free | 0.19610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hk2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.173 |
| Data reduction software | MOSFLM (7.1.0) |
| Data scaling software | Aimless (0.2.7) |
| Phasing software | MOLREP (11.2.05) |
| Refinement software | PHENIX ((1.14_3260)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.570 | 1.460 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.087 | 0.840 |
| Number of reflections | 361184 | 11325 |
| <I/σ(I)> | 10.3 | |
| Completeness [%] | 90.4 | 57.2 |
| Redundancy | 3.8 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 0.1 M acetic acid pH 4.5 3-5% PEG 20,000 0.3 M ammonium acetate 5 mM (R)-MVAP |
