6PVA
The structure of NTMT1 in complex with compound 11
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 | 2018-07-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 73.012, 73.012, 82.172 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.510 - 1.840 |
R-factor | 0.199 |
Rwork | 0.196 |
R-free | 0.23180 |
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 | 1.890 |
High resolution limit [Å] | 1.840 | 1.840 |
Number of reflections | 22463 | 1586 |
<I/σ(I)> | 9.9 | 0.4 |
Completeness [%] | 99.8 | 97.8 |
Redundancy | 6.5 | 5.3 |
CC(1/2) | 1.000 | 0.140 |
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 |