5LRM
Structure of di-zinc MCR-1 in P41212 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-07 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.97833 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 49.044, 49.044, 244.253 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.085 - 1.750 |
R-factor | 0.1702 |
Rwork | 0.169 |
R-free | 0.19800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Initial model built from phases calculated from Zn-SAD datasets |
RMSD bond length | 0.011 |
RMSD bond angle | 1.163 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.850 | 1.790 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.029 | 0.512 |
Number of reflections | 34217 | |
<I/σ(I)> | 15.1 | 2.3 |
Completeness [%] | 100.0 | 99.6 |
Redundancy | 15.5 | 14.8 |
CC(1/2) | 0.925 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291.15 | 0.1 M MOPS/HEPES-Na pH 7.5, 10% w/v PEG 20000, 20% v/v PEG MME 550, 0.02 M 1,6-hexanediol, 0.02 M 1-butanol, 0.02 M 1,2-propanediol, 0.02 M 2-propanol, 0.02 M 1,4-butanediol, 0.02 M 1,3-propanediol |