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 |