2ZP4
Carboxylic ester hydrolase, single mutant h48n of bovine pancreatic pla2 enzyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-04-08 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 45.819, 45.819, 101.502 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.910 - 1.900 |
R-factor | 0.178 |
Rwork | 0.178 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mkt |
RMSD bond length | 0.004 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.058 | 0.418 |
Number of reflections | 10227 | |
<I/σ(I)> | 5.9 | |
Completeness [%] | 99.7 | 99.5 |
Redundancy | 11.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 5mm CACL2, 50mm tris buffer, pH 7.2, 60% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 293K |