5YF2
Crystal structure of CARNMT1 bound to anserine and SAH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 127.690, 127.690, 320.633 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.244 - 2.802 |
R-factor | 0.1786 |
Rwork | 0.176 |
R-free | 0.22110 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.967 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
Rmerge | 0.143 | 0.054 | 1.036 |
Rmeas | 0.165 | 0.064 | 1.191 |
Rpim | 0.081 | 0.033 | 0.578 |
Number of reflections | 38194 | 2047 | 1867 |
<I/σ(I)> | 8.1 | ||
Completeness [%] | 98.0 | 92.2 | 99.1 |
Redundancy | 3.8 | 3.5 | 3.9 |
CC(1/2) | 0.993 | 0.538 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 16% PEG8000, 0.1 M MES, pH 6.0, 0.2 M CaAc |