3ESC
cut-2a; NCN-Pt-Pincer-Cutinase Hybrid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 63 |
| Unit cell lengths | 83.949, 83.949, 55.771 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.000 - 1.200 |
| Rwork | 0.166 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cua |
| RMSD bond length | 0.020 |
| RMSD bond angle | 0.030 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 1.260 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Number of reflections | 69883 | |
| <I/σ(I)> | 13.6 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 291 | 10%(w/v) PEG-3350, 25%(v/v) glycerol, 0.1M 2-(bis(2-hydroxyethyl)amino)-2-(hydroxymethyl)propane-1,3-diol (BisTrisP), 0.2M sodium citrate, pH 6.5, VAPOR DIFFUSION, temperature 291K |
