6BCS
LilrB2 D1D2 domains complexed with benzamidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-22 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.050, 57.050, 101.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.695 - 2.100 |
R-factor | 0.1872 |
Rwork | 0.182 |
R-free | 0.23280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gw5 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.023 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.6.1) |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.695 | 49.695 | 2.150 |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.089 | 0.045 | 0.737 |
Rmeas | 0.093 | 0.047 | 0.769 |
Total number of observations | 126498 | ||
Number of reflections | 10310 | 150 | 745 |
<I/σ(I)> | 17.98 | 40.22 | 3.9 |
Completeness [%] | 99.9 | 100 | 99.9 |
Redundancy | 12.269 | 10.027 | 12.034 |
CC(1/2) | 0.999 | 0.999 | 0.909 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.53 | 298 | 1.03 M Ammonium sulfate, 0.1 M Bis-Tris pH 5.53, 2.76% PEG 3350, 1.4% w/v benzamidine |