6SXL
Crystal structure of CrtE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-25 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.203, 89.470, 107.322 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.820 - 2.500 |
| R-factor | 0.24589 |
| Rwork | 0.243 |
| R-free | 0.30570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5e8h |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.515 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.816 | 2.589 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.031 | 0.447 |
| Rmeas | 0.044 | 0.633 |
| Rpim | 0.312 | 0.447 |
| Number of reflections | 24024 | 2358 |
| <I/σ(I)> | 11.72 | |
| Completeness [%] | 100.0 | |
| Redundancy | 1.99 | |
| CC(1/2) | 0.999 | 0.776 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M ammonium acetate, 0.1 M sodium acetate (pH 4.6) and 30 % w/v PEG 4000 |
