3WYN
Structure of calcium bound cutinase Est119 from Thermobifida alba.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-12 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.473, 87.740, 72.619 |
| Unit cell angles | 90.00, 133.35, 90.00 |
Refinement procedure
| Resolution | 31.260 - 1.680 |
| R-factor | 0.19797 |
| Rwork | 0.196 |
| R-free | 0.23710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vis |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.416 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 |
| High resolution limit [Å] | 1.680 | 1.690 |
| Rmerge | 0.057 | 0.243 |
| Number of reflections | 48769 | |
| <I/σ(I)> | 15 | |
| Completeness [%] | 98.1 | 96.5 |
| Redundancy | 4.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | 25% (w/v) PEG 3000, 0.2M sodium chloride, 0.1M sodium potassium phosphate , pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
