2QXT
Crystal Structure Analysis of the Bacillus subtilis lipase crystallized at pH 4.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-09-10 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 74.936, 74.936, 112.016 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.940 - 2.000 |
R-factor | 0.208 |
Rwork | 0.208 |
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 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 21687 | |
<I/σ(I)> | 11.1 | 2.3 |
Completeness [%] | 97.7 | 95.4 |
Redundancy | 4.2 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.5 | 298 | 26% PEG 4000, 50mM Sodium Citrate pH 4.5, 50mM Ammonium Sulfate, VAPOR DIFFUSION, temperature 298K |