4X6U
Crystal Structure of lipase from Geobacillus stearothermophilus T6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-05-26 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.56 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.979, 71.570, 113.332 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.989 - 2.201 |
R-factor | 0.1928 |
Rwork | 0.191 |
R-free | 0.22920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.095 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
Rmerge | 0.112 | 0.064 | 0.432 |
Rmeas | 0.121 | 0.071 | 0.468 |
Rpim | 0.045 | 0.029 | 0.177 |
Total number of observations | 153775 | ||
Number of reflections | 21199 | ||
<I/σ(I)> | 9.9 | ||
Completeness [%] | 99.9 | 97.8 | 100 |
Redundancy | 7.3 | 6 | 6.7 |
CC(1/2) | 0.995 | 0.927 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2M sodium citrate , 25% PEG3350 |