3QAE
3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-14 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 73.483, 90.367, 160.621 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.720 - 2.300 |
R-factor | 0.20892 |
Rwork | 0.207 |
R-free | 0.24108 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qax |
RMSD bond length | 0.008 |
RMSD bond angle | 1.032 |
Data reduction software | CrysalisPro |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 24.720 | 24.720 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.115 | 0.049 | 0.291 |
Number of reflections | 24163 | ||
<I/σ(I)> | 8.8 | 20.1 | 3.4 |
Completeness [%] | 99.9 | 97.5 | 100 |
Redundancy | 3.7 | 5.6 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 2.0M Ammonium Sulfate, 6% PEG 400, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |