6H2S
Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase T157V/D181Q/A198L variant, pyruvate complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-28 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5406 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 76.560, 87.016, 92.000 |
Unit cell angles | 90.00, 95.74, 90.00 |
Refinement procedure
Resolution | 28.794 - 2.170 |
R-factor | 0.1476 |
Rwork | 0.145 |
R-free | 0.19560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w37 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.060 |
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 | 2.210 |
High resolution limit [Å] | 2.170 | 2.170 |
Rmerge | 0.064 | 0.225 |
Number of reflections | 60596 | 2496 |
<I/σ(I)> | 23.3 | 4.59 |
Completeness [%] | 95.3 | 79.1 |
Redundancy | 5.4 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 291 | 0.1M HEPES pH 6.1, 11% PEG4K, 4% isopropanol, 0.1M pyruvate |