5LUK
Structure of a double variant of cutinase 2 from Thermobifida cellulosilytica
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9777 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.595, 50.512, 105.477 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.886 - 1.450 |
R-factor | 0.1452 |
Rwork | 0.144 |
R-free | 0.16380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jfr |
RMSD bond length | 0.006 |
RMSD bond angle | 0.943 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | PHENIX (1.8.4-1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.900 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.077 | 0.226 |
Number of reflections | 38429 | |
<I/σ(I)> | 17.8 | 5 |
Completeness [%] | 98.0 | 83 |
Redundancy | 8 | 4.4 |
CC(1/2) | 0.997 | 0.948 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293.15 | 1.1 M Sodium malonate pH 7.0, 0.1 M HEPES pH 7.0, and 0.5% v/v Jeffamine ED-2001 pH 7.0 |