6V3P
The BIgI domain of beta protein from S. agalactiae bound to CEACAM1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 131.616, 131.616, 257.066 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.950 - 3.250 |
R-factor | 0.2194 |
Rwork | 0.218 |
R-free | 0.24410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gk2 |
RMSD bond length | 0.004 |
RMSD bond angle | 1.422 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.920 | 3.510 |
High resolution limit [Å] | 3.250 | 3.250 |
Rmerge | 0.078 | 1.411 |
Rmeas | 0.082 | 1.481 |
Rpim | 0.025 | 0.445 |
Total number of observations | 194550 | |
Number of reflections | 18198 | 3672 |
<I/σ(I)> | 18.2 | |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 10.7 | 10.9 |
CC(1/2) | 0.999 | 0.919 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 1.7M Ammonium Sulfate, 0.1M Sodium Citrate, pH 5.5 |