6NMN
Ternary complex structure of the T130K mutant of ANT-4'' with Neomycin and ATP (No Pyrophosphate)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-11-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0332 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 58.050, 58.050, 363.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.323 - 1.800 |
R-factor | 0.1862 |
Rwork | 0.184 |
R-free | 0.21820 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.776 |
Data reduction software | HKL-3000 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.570 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.760 | 0.248 |
Rmeas | 0.084 | 0.270 |
Rpim | 0.034 | 0.102 |
Number of reflections | 54803 | 2770 |
<I/σ(I)> | 12.2 | 5 |
Completeness [%] | 92.1 | 80.7 |
Redundancy | 5.3 | 5.8 |
CC(1/2) | 0.994 | 0.945 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 285 | crystallized in 9-10% PEG 5K MME, 0.1 M Tris pH 7.5-8.0, 0.1-0.2 M CaCl2. The crystals were transferred to a cryosolution containing 9-10% PEG 5K MME, 0.1 M Tris pH 7.5-8.0, 10 mM MgCl2 and 30% glycerol for varying time intervals (3-30 min) |