1R4Z
Bacillus subtilis lipase A with covalently bound Rc-IPG-phosphonate-inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-04-14 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9930 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.489, 83.318, 94.638 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.800 |
Rwork | 0.177 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Bacillus subtilis lipase A |
RMSD bond length | 0.005 |
RMSD bond angle | 1.192 |
Data reduction software | DENZO |
Data scaling software | CCP4 ((TRUNCATE)) |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 26465 | |
<I/σ(I)> | 19.4 | 3.8 |
Completeness [%] | 88.4 | 56.2 |
Redundancy | 6.3 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 10 | 298 | PEG 4000, ETHANOL AMINE, SODIUM SULPHATE, CADMIUM CHLORIDE, pH 10, VAPOR DIFFUSION, HANGING DROP, temperature 298K |