5HWO
MvaS in complex with 3-hydroxy-3-methylglutaryl coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 73.349, 73.349, 277.276 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.213 - 1.480 |
| R-factor | 0.1291 |
| Rwork | 0.128 |
| R-free | 0.15700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tvz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.164 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.12) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.213 | 46.210 | 1.510 |
| High resolution limit [Å] | 1.480 | 8.110 | 1.480 |
| Rmerge | 0.164 | 0.031 | 1.158 |
| Rmeas | 0.033 | 1.216 | |
| Rpim | 0.011 | 0.367 | |
| Total number of observations | 5240 | 38588 | |
| Number of reflections | 74847 | ||
| <I/σ(I)> | 12.3 | 47.6 | 2.3 |
| Completeness [%] | 100.0 | 99.4 | 99.9 |
| Redundancy | 10.7 | 8.7 | 10.7 |
| CC(1/2) | 0.998 | 1.000 | 0.762 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 2.2 M (NH4)2SO4, 0.1 M MES |
