6MB7
Binary (paromomycin) structure of AAC-IIIb
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 | 2018-08-01 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 106.190, 106.190, 69.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.264 - 2.200 |
R-factor | 0.2022 |
Rwork | 0.200 |
R-free | 0.23670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6bc3 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.260 | 38.260 | 2.270 |
High resolution limit [Å] | 2.200 | 9.070 | 2.200 |
Rmerge | 0.070 | 0.022 | 0.513 |
Rmeas | 0.087 | 0.027 | 0.646 |
Rpim | 0.051 | 0.016 | 0.388 |
Total number of observations | 59188 | 906 | 5036 |
Number of reflections | 22425 | 359 | 1966 |
<I/σ(I)> | 9.8 | 34.8 | 2 |
Completeness [%] | 97.3 | 97.6 | 98.1 |
Redundancy | 2.6 | 2.5 | 2.6 |
CC(1/2) | 0.996 | 0.998 | 0.772 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 1-3% PEG 4000, 20-25% isopropanol and 0.1M HEPES, pH 7.5 |