3VJD
Crystal structure of the Y248A mutant of C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-06 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.90000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 79.587, 79.587, 90.757 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.800 - 1.480 |
R-factor | 0.16427 |
Rwork | 0.162 |
R-free | 0.20559 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zco |
RMSD bond length | 0.007 |
RMSD bond angle | 1.413 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.530 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.049 | 0.580 |
Number of reflections | 55684 | |
<I/σ(I)> | 50.3 | 4.2 |
Completeness [%] | 99.7 | 100 |
Redundancy | 9.2 | 9.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.12-0.58M potassium sodium tartrate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |