4EA1
Co-crystal structure of dehydrosqualene synthase (Crtm) from S. aureus with SQ-109
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-22 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 80.615, 80.615, 91.604 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.460 |
R-factor | 0.236 |
Rwork | 0.232 |
R-free | 0.31400 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.460 |
Rmerge | 0.150 |
Number of reflections | 12795 |
Completeness [%] | 99.2 |
Redundancy | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.4 | 0.75M POTASSIUM SODIUM TARTRATE, 1MM BPH-1231, pH 7.4 |