4HB7
The Structure of Dihydropteroate Synthase from Staphylococcus aureus subsp. aureus Mu50.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97907 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 90.584, 77.301, 90.546 |
Unit cell angles | 90.00, 99.75, 90.00 |
Refinement procedure
Resolution | 27.800 - 1.950 |
R-factor | 0.1645 |
Rwork | 0.162 |
R-free | 0.20560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ad1 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.615 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
High resolution limit [Å] | 1.900 | 5.900 | 1.900 |
Rmerge | 0.053 | 0.026 | 0.200 |
Number of reflections | 42672 | ||
<I/σ(I)> | 10 | ||
Completeness [%] | 88.3 | 95.2 | 62.9 |
Redundancy | 3.7 | 3.6 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 0.2M MgCl2, 0.1MES:NaOH pH 6.5, 10% PEG 4K, VAPOR DIFFUSION, HANGING DROP, temperature 289K |