7X9D
DNMT3B in complex with harmine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-03-16 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.00000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 72.023, 236.161, 230.652 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.940 - 3.080 |
R-factor | 0.2151 |
Rwork | 0.213 |
R-free | 0.24470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kdp |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 3.200 |
High resolution limit [Å] | 3.080 | 6.640 | 3.090 |
Rmerge | 0.084 | 0.028 | 0.537 |
Rmeas | 0.095 | 0.032 | 0.603 |
Rpim | 0.042 | 0.015 | 0.270 |
Number of reflections | 35934 | 3664 | 3283 |
<I/σ(I)> | 8 | ||
Completeness [%] | 97.7 | 94.4 | 91 |
Redundancy | 5.2 | 4.4 | 4.6 |
CC(1/2) | 0.998 | 0.939 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | bis-tris propane pH 7.0, sodium formate |