4PSD
Structure of Trichoderma reesei cutinase native form.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Detector technology | CCD |
| Collection date | 2013-11-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.93 |
| Spacegroup name | P 61 |
| Unit cell lengths | 148.930, 148.930, 29.145 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.750 - 1.520 |
| R-factor | 0.163 |
| Rwork | 0.163 |
| R-free | 0.17330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4psc |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.640 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.074 | 0.390 |
| Number of reflections | 66100 | |
| <I/σ(I)> | 15 | 2.9 |
| Completeness [%] | 99.0 | 95.8 |
| Redundancy | 6.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.25 | 293 | 300 nl enzyme at 10 mg/ml with 100 nl PEG8000 (30%), Sodium Acetate (200 mM), Sodium Cacodylate (0.1 M), pH 6.25, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
