6MBL
SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, Second P212121 Crystal Form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.557, 92.830, 111.635 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.299 - 2.197 |
R-factor | 0.1846 |
Rwork | 0.182 |
R-free | 0.22720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3smt |
RMSD bond length | 0.004 |
RMSD bond angle | 0.683 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.300 | 2.270 |
High resolution limit [Å] | 2.190 | 2.190 |
Rpim | 0.066 | 0.548 |
Number of reflections | 30434 | 2920 |
<I/σ(I)> | 14.1 | 1.5 |
Completeness [%] | 99.5 | 96.7 |
Redundancy | 10.6 | 4.7 |
CC(1/2) | 0.402 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 292 | 0.2 M Sodium chloride, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350 |