4U2B
Crystal structure of dienelactone hydrolase (C123S) at 1.70 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-07-24 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.233, 70.969, 77.221 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.250 - 1.700 |
R-factor | 0.17433 |
Rwork | 0.173 |
R-free | 0.19752 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.437 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 52.250 |
High resolution limit [Å] | 1.700 |
Number of reflections | 29186 |
<I/σ(I)> | 15.7 |
Completeness [%] | 97.7 |
Redundancy | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 277 | sodium citrate, ammonium sulphate |