6WAF
Crystal Structure of SmcR N55I from Vibrio vulnificus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2017-12-07 |
| Detector | RDI CMOS_8M |
| Wavelength(s) | 1.00003 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 167.568, 57.921, 78.108 |
| Unit cell angles | 90.00, 109.83, 90.00 |
Refinement procedure
| Resolution | 46.375 - 3.381 |
| R-factor | 0.2696 |
| Rwork | 0.269 |
| R-free | 0.29340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kz9 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.700 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.15_3459: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.380 | 3.500 |
| High resolution limit [Å] | 3.380 | 3.380 |
| Rmeas | 0.168 | 1.476 |
| Rpim | 0.090 | 0.815 |
| Number of reflections | 9974 | 2051 |
| <I/σ(I)> | 6.4 | 1.1 |
| Completeness [%] | 98.9 | 99.4 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.996 | 0.605 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M of Lithium Sulfate, 0.1 M Imidazole buffer pH 7.6-8 and 6-10% PEG3350 |
