3ESB
cut-1c; 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 |
| Collection date | 2006-12-16 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 69.976, 69.976, 100.666 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.560 - 2.300 |
| R-factor | 0.21636 |
| Rwork | 0.215 |
| R-free | 0.24657 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cua |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.562 |
| 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] | 39.000 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.078 | 0.078 |
| Number of reflections | 12784 | |
| <I/σ(I)> | 14.6 | 3.3 |
| Completeness [%] | 97.0 | 100 |
| Redundancy | 7.2 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 291 | 2%(w/v) PEG-1000, 0.1M 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid(Hepes), pH 6.0, VAPOR DIFFUSION, temperature 291K |
