5LUL
Structure of a triple 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) | 0.87260 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 110.438, 110.438, 75.302 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.530 - 1.900 |
R-factor | 0.1602 |
Rwork | 0.159 |
R-free | 0.19350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jfr |
RMSD bond length | 0.006 |
RMSD bond angle | 0.814 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4-1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.530 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.072 | 0.220 |
Number of reflections | 41912 | |
<I/σ(I)> | 23.9 | 11.1 |
Completeness [%] | 100.0 | 99.6 |
Redundancy | 13.7 | 14 |
CC(1/2) | 0.999 | 0.978 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293.15 | 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 0.02 M of each carboxylic acid (0.2 M sodium formate, 0.2 M ammonium acetate, 0.2 M trisodium citrate, 0.2 M sodium potassium L-tartrate, 0.2 M sodium oxamate) and 0.1 M MOPS/HEPES-Na pH 7.5. |