4WWI
Crystal structure of the C domain of staphylococcal protein A in complex with the Fc fragment of human IgG at 2.3 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-19 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 138.918, 88.116, 101.038 |
Unit cell angles | 90.00, 90.95, 90.00 |
Refinement procedure
Resolution | 41.177 - 2.307 |
R-factor | 0.2113 |
Rwork | 0.210 |
R-free | 0.25060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4npd 1fc1 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.712 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX ((phenix.refine: dev_1664)) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.180 | 2.389 |
High resolution limit [Å] | 2.307 | 2.307 |
Number of reflections | 53496 | |
<I/σ(I)> | 19.5 | 1.5 |
Completeness [%] | 99.5 | 94.81 |
Redundancy | 7.5 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | NaOAc, ammonium sulfate, PEG 5K MME, glycerol |