6XNT
Crystal structure of I91A mutant of human CEACAM1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-02-07 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 102.110, 102.110, 61.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.200 - 3.100 |
| R-factor | 0.2228 |
| Rwork | 0.221 |
| R-free | 0.25810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qxw |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.852 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 72.200 | 72.200 | 3.310 |
| High resolution limit [Å] | 3.100 | 8.770 | 3.100 |
| Rmerge | 0.251 | 0.086 | 0.777 |
| Rmeas | 0.263 | 0.095 | 0.812 |
| Rpim | 0.077 | 0.037 | 0.235 |
| Total number of observations | 73320 | 3180 | 12990 |
| Number of reflections | 6265 | 333 | 1107 |
| <I/σ(I)> | 9.4 | 15.3 | 3.8 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 11.7 | 9.5 | 11.7 |
| CC(1/2) | 0.963 | 0.928 | 0.894 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 54% Tascimate with 0.5 % n-Octyl-D-glucoside pH 8.0 |
