5YLC
Crystal Structure of MCR-1 Catalytic Domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2016-03-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.650, 72.440, 82.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.138 - 1.500 |
R-factor | 0.1378 |
Rwork | 0.136 |
R-free | 0.18120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tn0 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.172 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.138 | 1.554 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.035 | 0.314 |
Number of reflections | 48451 | 4891 |
<I/σ(I)> | 11.17 | 1.88 |
Completeness [%] | 97.0 | 99 |
Redundancy | 1.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 10% (v/v) PEG 1000, 5% (v/v) PEG 8000 |