6H7S
Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase T157V/A198L variant in complex with L-2-keto-3deoxy-gluconate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-14 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5406 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 105.061, 105.061, 246.416 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.265 - 3.202 |
R-factor | 0.1809 |
Rwork | 0.177 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w37 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.630 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.260 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.201 | 0.593 |
Number of reflections | 13375 | 675 |
<I/σ(I)> | 5.68 | |
Completeness [%] | 95.4 | 99.9 |
Redundancy | 3.9 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 291 | 15% PEG4K, 12% isopropanol, 0.1M HEPES pH 5.9 |