7P2D
Structure of alphaMbeta2/Cd11bCD18 headpiece in complex with a nanobody
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-04-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 114.100, 114.100, 250.120 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.950 - 3.200 |
R-factor | 0.2619 |
Rwork | 0.261 |
R-free | 0.29480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4neh |
RMSD bond length | 0.006 |
RMSD bond angle | 1.156 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19rc5_4047) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.000 | 3.350 |
High resolution limit [Å] | 3.200 | 3.200 |
Number of reflections | 31887 | 4057 |
<I/σ(I)> | 20.7 | |
Completeness [%] | 99.9 | 99 |
Redundancy | 36 | 37 |
CC(1/2) | 0.990 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 1:1 ratio with reservoir containing 1.25 M sodium malonate, 76 mM HEPES pH 8.0, 24 mM HEPES pH 6.5, and 0.5% Jeffamine ED2001 pH 7.0 |