5LUI
Structure of cutinase 1 from Thermobifida cellulosilytica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.033 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.970, 34.890, 78.050 |
| Unit cell angles | 90.00, 108.56, 90.00 |
Refinement procedure
| Resolution | 31.423 - 1.500 |
| R-factor | 0.154 |
| Rwork | 0.153 |
| R-free | 0.18120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jfr |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.249 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.020 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.060 | 0.115 |
| Number of reflections | 34683 | |
| <I/σ(I)> | 23.8 | 13.8 |
| Completeness [%] | 98.9 | 99.2 |
| Redundancy | 6.3 | 6.3 |
| CC(1/2) | 0.997 | 0.991 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293.15 | 0.2 M magnesium chloride hexahydrate, 0.1 M Bis-Tris pH 6.5 and 25 % w/v PEG 3350 |
