6GSO
Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase Y132V,T157C variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.024, 144.622, 161.486 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 80.743 - 2.000 |
R-factor | 0.1843 |
Rwork | 0.182 |
R-free | 0.23570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w37 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.078 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | BALBES |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 107.730 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.050 | 0.377 |
Rmeas | 0.068 | 0.522 |
Rpim | 0.046 | 0.360 |
Number of reflections | 90479 | 4466 |
<I/σ(I)> | 10.4 | 2.1 |
Completeness [%] | 99.5 | 100 |
Redundancy | 3.2 | 3.2 |
CC(1/2) | 0.998 | 0.859 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 15% PEG4K, 8% isopropanol, 0.1M HEPES pH 6.0 |