5WPJ
Structure of the class II 3-hydroxy-3-methylglutaryl-CoA reductase from Streptococcus pneumoniae bound to NADPH in open conformations
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2017-04-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.990, 84.000, 94.210 |
| Unit cell angles | 108.16, 100.60, 109.12 |
Refinement procedure
| Resolution | 72.720 - 2.000 |
| R-factor | 0.167 |
| Rwork | 0.164 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qae |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.243 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.720 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.116 | 0.447 |
| Number of reflections | 95302 | |
| <I/σ(I)> | 5.02 | 1.88 |
| Completeness [%] | 93.2 | 92.4 |
| Redundancy | 2.1 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 100 mM Tris, pH 8.5, 100-250 mM lithium sulfate, 30-40% PEG4000 |
