5MX9
High resolution crystal structure of the MCR-2 catalytic domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.818, 53.310, 117.509 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.548 - 1.120 |
R-factor | 0.134 |
Rwork | 0.133 |
R-free | 0.14530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lrn |
RMSD bond length | 0.008 |
RMSD bond angle | 1.382 |
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] | 58.750 | 1.140 |
High resolution limit [Å] | 1.120 | 1.120 |
Rpim | 0.017 | 0.192 |
Number of reflections | 108679 | |
<I/σ(I)> | 20.4 | 3.4 |
Completeness [%] | 99.8 | 96.8 |
Redundancy | 11.7 | 6.2 |
CC(1/2) | 1.000 | 0.879 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | Reservoir: 0.1 M KSCN, 30% PEG2000MME; Protein: 15 mg/ml, 50 mM HEPES pH7.5, 150 mM NaCl, 0.1mM ZnCl2 |