6NMM
Ternary complex structure of the T130K mutant of ANT-4 with Neomycin, AMPCPP and Pyrophosphate
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 | 2017-03-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 85.510, 59.250, 102.040 |
Unit cell angles | 90.00, 94.80, 90.00 |
Refinement procedure
Resolution | 38.580 - 2.500 |
R-factor | 0.1764 |
Rwork | 0.174 |
R-free | 0.23000 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.651 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.580 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.077 | 0.224 |
Rmeas | 0.089 | 0.267 |
Rpim | 0.043 | 0.141 |
Number of reflections | 30831 | 3276 |
<I/σ(I)> | 12.2 | 5.1 |
Completeness [%] | 86.6 | 81.9 |
Redundancy | 3.8 | 3.2 |
CC(1/2) | 0.933 | 0.933 |
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) |