6PVB
The structure of NTMT1 in complex with compound 6
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 | 2018-06-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 72.947, 72.947, 82.089 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.480 - 1.500 |
R-factor | 0.2057 |
Rwork | 0.205 |
R-free | 0.22430 |
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] | 30.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 41225 | 2962 |
<I/σ(I)> | 14.5 | 0.4 |
Completeness [%] | 99.8 | 98.3 |
Redundancy | 5.3 | 5.3 |
CC(1/2) | 1.000 | 0.170 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.5 M lithium sulfate, 0.1 M sodium HEPES 7.5 |