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 |
