7CWQ
Crystal structure of a novel cutinase from Burkhoderiales bacterium RIFCSPLOWO2_02_FULL_57_36
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-10-29 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 69.967, 69.967, 381.890 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.890 - 1.650 |
| R-factor | 0.1663 |
| Rwork | 0.165 |
| R-free | 0.19550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xfy |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.491 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
| Rmerge | 0.211 | 0.132 | |
| Rmeas | 0.214 | 0.134 | |
| Rpim | 0.110 | 0.023 | |
| Total number of observations | 2071637 | ||
| Number of reflections | 68361 | 7477 | 6689 |
| <I/σ(I)> | 3.3 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 30.3 | 34.8 | 13.5 |
| CC(1/2) | 0.998 | 0.779 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | Polyethylene Glycol 6000, Glycerol, MES |
