2ZCR
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-698
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-05-13 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97315 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 80.360, 80.360, 90.360 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.920 |
Rwork | 0.181 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zco |
RMSD bond length | 0.013 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.990 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.027 | 0.286 |
Number of reflections | 26220 | |
<I/σ(I)> | 41.7 | 5.6 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 4.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.12-0.58M potassium sodium tartrate, 0.05mM BPH-698, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |