5THZ
Crystal structure of CurJ carbon methyltransferase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.124, 129.131, 63.076 |
Unit cell angles | 90.00, 111.46, 90.00 |
Refinement procedure
Resolution | 43.435 - 2.100 |
R-factor | 0.1881 |
Rwork | 0.185 |
R-free | 0.25160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5thy |
RMSD bond length | 0.007 |
RMSD bond angle | 0.919 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.442 | 43.442 | 2.210 |
High resolution limit [Å] | 2.080 | 6.190 | 2.080 |
Rmerge | 0.151 | 0.049 | 1.051 |
Number of reflections | 39931 | ||
<I/σ(I)> | 9.15 | 32.67 | 1.27 |
Completeness [%] | 98.8 | 98.6 | 93.6 |
Redundancy | 6.6 | ||
CC(1/2) | 0.997 | 0.998 | 0.684 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.30 M NaCitrate, 2 mM GSH/GSSG, 5% Acetone |