5X62
Crystal structure of a carnosine N-methyltransferase bound by AdoHcy
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.537, 72.902, 175.235 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.443 - 2.204 |
R-factor | 0.206 |
Rwork | 0.204 |
R-free | 0.24280 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 0.910 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.118 | 1.052 |
Number of reflections | 47093 | 4653 |
<I/σ(I)> | 16.5 | 1.94 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.2 | 7.4 |
CC(1/2) | 0.667 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 30-35% PEG 400, 0.1 M NaOAc, 0.1 M NaCl |