5W2D
Crystal structure of mutant CJ YCEI protein (CJ-G34C) for nanotechnology applications
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 | 2016-12-02 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0 |
Spacegroup name | P 6 2 2 |
Unit cell lengths | 178.885, 178.885, 50.725 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.730 - 2.700 |
R-factor | 0.232 |
Rwork | 0.230 |
R-free | 0.27130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5w17 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.826 |
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] | 38.730 | 38.730 | 2.850 |
High resolution limit [Å] | 2.700 | 8.540 | 2.700 |
Rmerge | 0.040 | 3.133 | |
Rmeas | 0.214 | 0.041 | 3.210 |
Rpim | 0.047 | 0.009 | 0.694 |
Total number of observations | 280434 | ||
Number of reflections | 13638 | ||
<I/σ(I)> | 13.2 | 13 | 0.2 |
Completeness [%] | 99.9 | 99 | 100 |
Redundancy | 20.6 | 17.6 | 21.2 |
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 |