7ZB0
macrocyclase OphP with 15mer
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 | 2021-03-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.220, 106.180, 114.790 |
| Unit cell angles | 113.04, 101.67, 93.24 |
Refinement procedure
| Resolution | 64.350 - 2.470 |
| R-factor | 0.2311 |
| Rwork | 0.229 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n4c |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.464 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.350 | 2.510 |
| High resolution limit [Å] | 2.470 | 2.470 |
| Rmerge | 0.120 | 1.375 |
| Rmeas | 0.142 | 1.618 |
| Number of reflections | 104483 | 5186 |
| <I/σ(I)> | 13 | 0.9 |
| Completeness [%] | 98.6 | 97.9 |
| Redundancy | 3.6 | 3.6 |
| CC(1/2) | 0.993 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M sodium acetate, 0.1 M Bis-Tris propane (pH 6.0-6.5) and 28% PEG 3350 |
