5CT8
G158E/K44E/R57E/Y49E Bacillus subtilis lipase A with 0% [BMIM][Cl]
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-13 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9999 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.090, 55.690, 64.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.900 - 1.290 |
R-factor | 0.1265 |
Rwork | 0.126 |
R-free | 0.14330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1i6w |
RMSD bond length | 0.009 |
RMSD bond angle | 1.220 |
Data reduction software | iMOSFLM |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.900 | 1.360 |
High resolution limit [Å] | 1.290 | 1.290 |
Rmerge | 0.040 | 0.153 |
Number of reflections | 44124 | |
<I/σ(I)> | 13.5 | 5.4 |
Completeness [%] | 99.3 | 99.5 |
Redundancy | 3.3 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 35 % PEG 3350, 20 mM NaSO4, 0.1M ethanolamine, 10mM ZnCl2, pH 9.5 |