3MYP
Crystal structure of tagatose-1,6-bisphosphate aldolase from Staphylococcus aureus
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 6C1 |
Synchrotron site | PAL/PLS |
Beamline | 6C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-04 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 31 |
Unit cell lengths | 104.899, 104.899, 115.863 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.830 - 2.990 |
R-factor | 0.20471 |
Rwork | 0.203 |
R-free | 0.24124 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.483 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.050 |
High resolution limit [Å] | 2.989 | 2.989 |
Rmerge | 0.153 | 0.589 |
Number of reflections | 28654 | |
<I/σ(I)> | 28.5 | 4.5 |
Redundancy | 17.3 | 15.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 287 | 0.2M calcium chloride, 0.1M HEPES, 28% (v/v) PEG 400, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 287K |