1W3I
Sulfolobus solfataricus 2-keto-3-deoxygluconate (KDG) aldolase complex with pyruvate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-02-08 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.682, 130.988, 132.293 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.700 |
R-factor | 0.179 |
Rwork | 0.176 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w37 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.587 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.800 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.070 | 0.200 |
Number of reflections | 157939 | |
<I/σ(I)> | 5.6 | 3.6 |
Completeness [%] | 98.9 | 98.9 |
Redundancy | 3.3 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 0.1M HEPES PH6, 13% PEG4000, 8% ISOPROPANOL, pH 6.00 |