6WJ7
The structure of NTMT1 in complex with compound C2A
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 | 2019-10-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97934 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 72.804, 72.804, 80.131 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.590 - 1.420 |
R-factor | 0.166 |
Rwork | 0.165 |
R-free | 0.18800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dtn |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.440 |
High resolution limit [Å] | 1.420 | 1.420 |
Number of reflections | 46403 | 4545 |
<I/σ(I)> | 20.4 | 1 |
Completeness [%] | 99.9 | 99.78 |
Redundancy | 6.5 | |
CC(1/2) | 0.990 | 0.460 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.8 M Lithium Chloride 0.1 M Tris: HCl, pH 8.5 32 % (w/v) PEG 4000 |