6XNW
Crystal structure of V39A mutant of human CEACAM1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-10-29 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 3 |
| Unit cell lengths | 91.440, 91.440, 64.410 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.590 - 1.900 |
| R-factor | 0.1469 |
| Rwork | 0.145 |
| R-free | 0.18610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qxw |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.279 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.590 | 39.590 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.200 | 0.068 | 1.675 |
| Rmeas | 0.214 | 0.073 | 1.794 |
| Rpim | 0.076 | 0.026 | 0.642 |
| Total number of observations | 366913 | 3212 | 23237 |
| Number of reflections | 47459 | 431 | 3048 |
| <I/σ(I)> | 7.8 | 18.4 | 1.4 |
| Completeness [%] | 100.0 | 98.9 | 100 |
| Redundancy | 7.7 | 7.5 | 7.6 |
| CC(1/2) | 0.992 | 0.996 | 0.304 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.005 M Cobalt(II) chloride hexahydrate, 0.005 M Nickel(II) chloride hexahydrate, 0.005 M Cadmium chloride hydrate, 0.005 M Magnesium chloride hexahydrate with 12% w/v Polyethylene glycol 3,350 in 0.1 M HEPES pH 7.5 buffer |
