3IPL
CRYSTAL STRUCTURE OF o-succinylbenzoic acid-CoA ligase FROM Staphylococcus aureus subsp. aureus Mu50
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2009-07-23 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 199.509, 65.425, 114.956 |
Unit cell angles | 90.00, 100.05, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.18575 |
Rwork | 0.185 |
R-free | 0.24146 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.292 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.890 | |
Number of reflections | 65021 | |
<I/σ(I)> | 4.2 | 0.7 |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 1.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M BIS-TRIS, PH 5.5, 200MM LITHIUM SULFATE, 25% PEG3350, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |