3DCN
Glomerella cingulata apo cutinase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 290 |
Detector technology | IMAGE PLATE |
Collection date | 2006-08-03 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 60.000, 60.000, 86.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.250 - 1.900 |
R-factor | 0.196 |
Rwork | 0.190 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cex |
RMSD bond length | 0.017 |
RMSD bond angle | 1.513 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.340 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.062 | 0.339 |
Number of reflections | 13027 | |
<I/σ(I)> | 10.7 | 5.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.2 | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 290 | 28% PEG 4000, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K |