5W3C
Crystal structure of mutant CJ YCEI protein (CJ-N182C) with selenocysteine guest structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-30 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 180.341, 180.341, 50.588 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.120 - 2.870 |
| R-factor | 0.2354 |
| Rwork | 0.233 |
| R-free | 0.27380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5w37 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.816 |
| Data reduction software | XDS (20161101) |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | REFMAC (5.8.0158) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.085 | 45.085 | 3.030 |
| High resolution limit [Å] | 2.870 | 9.080 | 2.870 |
| Rmerge | 0.052 | 1.882 | |
| Rmeas | 0.307 | 0.054 | 2.021 |
| Rpim | 0.074 | 0.014 | 0.723 |
| Total number of observations | 192807 | 5971 | 12205 |
| Number of reflections | 11574 | ||
| <I/σ(I)> | 9.4 | 27.9 | 1 |
| Completeness [%] | 100.0 | 99 | 100 |
| Redundancy | 16.7 | 13.8 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 3.2 M ammonium sulfate, 0.1 M Bis-Tris |
