3AG6
Crystal Structure of Pantothenate Synthetase from Staphylococcus aureus in complex with pantoyl adenylate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-18 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.026, 91.453, 87.342 |
Unit cell angles | 90.00, 103.11, 90.00 |
Refinement procedure
Resolution | 39.640 - 1.850 |
R-factor | 0.201 |
Rwork | 0.201 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 85.100 |
High resolution limit [Å] | 1.850 |
Rmerge | 0.091 |
Number of reflections | 59235 |
Completeness [%] | 98.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |