6NP3
AAC-VIa bound to Gentamicin
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 | 2018-03-13 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 87.196, 86.302, 50.140 |
Unit cell angles | 90.00, 119.86, 90.00 |
Refinement procedure
Resolution | 43.227 - 1.150 |
R-factor | 0.1279 |
Rwork | 0.127 |
R-free | 0.13910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6bc6 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.180 |
High resolution limit [Å] | 1.150 | 2.840 | 1.150 |
Rmerge | 0.032 | 0.024 | 0.401 |
Rmeas | 0.039 | 0.029 | 0.485 |
Rpim | 0.022 | 0.016 | 0.269 |
Number of reflections | 114191 | 7596 | 7557 |
<I/σ(I)> | 7.5 | ||
Completeness [%] | 99.2 | 97.3 | 99.2 |
Redundancy | 3 | 3.1 | 3 |
CC(1/2) | 0.998 | 0.874 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 279 | 15-20% polyethylene glycol (PEG) 8000,0.1 M Tris, pH 8.5 and 0.3 M MgCl2. |