1SFJ
2.4A Crystal structure of Staphylococcus aureus type I 3-dehydroquinase, with 3-dehydroquinate bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-12-01 |
Detector | ADSC |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 76.580, 76.580, 172.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.400 |
R-factor | 0.19 |
Rwork | 0.190 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qfe |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS (1.0) |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.053 | 0.539 |
Number of reflections | 19857 | |
<I/σ(I)> | 16.6 | 2.4 |
Completeness [%] | 94.8 | 99.5 |
Redundancy | 3.9 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 277 | PEG 8000, TRIS, potassium chloride, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K, pH 8.00 |