6NPO
Crystal structure of oligopeptide ABC transporter from Bacillus anthracis str. Ames (substrate-binding domain)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-03-21 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.542, 54.900, 82.917 |
Unit cell angles | 90.00, 106.21, 90.00 |
Refinement procedure
Resolution | 38.630 - 2.400 |
R-factor | 0.20052 |
Rwork | 0.195 |
R-free | 0.25416 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4faj |
RMSD bond length | 0.009 |
RMSD bond angle | 1.549 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.200 | 1.583 |
Number of reflections | 19690 | 947 |
<I/σ(I)> | 14.1 | 1.72 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 11.1 | 10.6 |
CC(1/2) | 0.994 | 0.668 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.1 M HEPES/Na pH 7.0, 30% jeffamine ED-2001 pH 7.0, 5mM Lys-Lys-Lys oligopeptide, cryo 30% glycerol |