6RHV
Crystal structure of mouse CD11b I-domain (CD11b-I) in complex with Staphylococcus aureus octameric bi-component leukocidin LukGH (LukH K319A mutant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-04 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.966 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 130.494, 130.494, 109.051 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.940 - 2.290 |
R-factor | 0.1895 |
Rwork | 0.188 |
R-free | 0.22710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | chains A and C from the PDB entry 5k59 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.490 |
Data reduction software | XDS (January 26, 2018) |
Data scaling software | XSCALE (Jan 26, 2018 BUILT=20180126) |
Phasing software | PHASER (2.7.17) |
Refinement software | PHENIX (1.14rc1_3177) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.942 | 2.369 |
High resolution limit [Å] | 2.287 | 2.287 |
Rmerge | 0.187 | 2.277 |
Rmeas | 0.206 | 2.566 |
Rpim | 0.086 | 1.158 |
Number of reflections | 42957 | 4124 |
<I/σ(I)> | 7.45 | 0.64 |
Completeness [%] | 99.6 | 97.63 |
Redundancy | 5.57 | 4.5 |
CC(1/2) | 0.993 | 0.212 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | Crystallization drops were prepared by mixing 1.0 uL LukGH/moCD11b-I complex (5 mg/mL) in 25 mM HEPES (pH 7.5), 50 mM NaCl and 1 mM MgCl2 with 1.0 uL reservoir solution containing 25% (v/v) Jeffamine-600 and 10% (v/v) DMSO. |