5LRN
Structure of mono-zinc MCR-1 in P21 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-02 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97831 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.200, 82.330, 81.740 |
Unit cell angles | 90.00, 104.42, 90.00 |
Refinement procedure
Resolution | 50.556 - 1.550 |
R-factor | 0.1662 |
Rwork | 0.165 |
R-free | 0.18880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lrm |
RMSD bond length | 0.011 |
RMSD bond angle | 1.227 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.560 | 1.590 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.097 | 0.670 |
Number of reflections | 94911 | |
<I/σ(I)> | 9.3 | 1.9 |
Completeness [%] | 98.0 | 96.7 |
Redundancy | 6.7 | 6.8 |
CC(1/2) | 0.993 | 0.519 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 291.15 | 0.2 M Lithium chloride, 0.1 M sodium acetate pH 5.0, 20% w/v PEG6000 |