7SS1
The structure of NTMT1 in complex with compound GD433
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | P 65 |
Unit cell lengths | 89.909, 89.909, 141.542 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.850 - 2.400 |
R-factor | 0.2519 |
Rwork | 0.248 |
R-free | 0.29920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6pvb |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.18) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
Rmerge | 0.130 | 0.055 | 1.704 |
Rmeas | 0.138 | 0.058 | 1.797 |
Rpim | 0.046 | 0.020 | 0.568 |
Total number of observations | 244434 | ||
Number of reflections | 25773 | 2612 | 2554 |
<I/σ(I)> | 5 | ||
Completeness [%] | 99.6 | 98.6 | 100 |
Redundancy | 9.5 | 8.4 | 10 |
CC(1/2) | 0.999 | 0.305 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M CHES: NaOH (pH 9.5), 10% (w/v) PEG 3000 |