2QXU
Crystal Structure Analysis of the Bacillus subtilis lipase crystallized at pH 5.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-10-25 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 218.608, 110.934, 51.988 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.810 - 1.900 |
R-factor | 0.211 |
Rwork | 0.211 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1i6w |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 96606 | |
<I/σ(I)> | 11.8 | 3.9 |
Completeness [%] | 95.9 | 99.4 |
Redundancy | 3.2 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5 | 298 | 32% PEG 6000, 100mM Sodium acetate pH 5.0, 15mM Ammonium sulfate, VAPOR DIFFUSION, temperature 298K |