6N0Z
Crystal structure of Anaerolinea thermophila mevalonate 5-phosphate decarboxylase N20K H194M mutant complexed with (R)-MVAPP
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 | 2014-08-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.800, 138.090, 105.130 |
| Unit cell angles | 90.00, 96.12, 90.00 |
Refinement procedure
| Resolution | 45.567 - 1.950 |
| R-factor | 0.1691 |
| Rwork | 0.167 |
| R-free | 0.20230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hk2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.865 |
| Data reduction software | MOSFLM (7.1.1) |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | MOLREP (11.2.08) |
| Refinement software | PHENIX ((1.14_3260)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.030 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.103 | 0.624 |
| Number of reflections | 131416 | 10659 |
| <I/σ(I)> | 8.5 | |
| Completeness [%] | 79.0 | 65.7 |
| Redundancy | 3.1 | 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)-MVAPP |
