3EF3
cut-1a; NCN-Pt-Pincer-Cutinase Hybrid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.934 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 59.275, 89.794, 97.526 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.620 - 1.500 |
R-factor | 0.16007 |
Rwork | 0.159 |
R-free | 0.17845 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cua |
RMSD bond length | 0.011 |
RMSD bond angle | 1.454 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.3.0008) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.000 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 41835 | |
<I/σ(I)> | 2.5 | |
Completeness [%] | 99.6 | 100 |
Redundancy | 4.8 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.5 | 291 | 20%(w/v) PEG-6000, 0.1M sodium acetate, 0.2M sodium chloride, pH 4.5, VAPOR DIFFUSION, temperature 291K |