5W2Z
Crystal structure of mutant CJ YCEI protein (CJ-N48C) with 5-mercapto-2-nitrobenzoic acid guest structure
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 | 2016-04-04 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0 |
Spacegroup name | P 6 2 2 |
Unit cell lengths | 179.858, 179.858, 50.623 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.380 - 2.800 |
R-factor | 0.2048 |
Rwork | 0.203 |
R-free | 0.23580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5w2x |
RMSD bond length | 0.013 |
RMSD bond angle | 1.884 |
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] | 38.384 | 38.384 | 2.950 |
High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
Rmerge | 0.065 | 4.721 | |
Rmeas | 0.221 | 0.067 | 4.838 |
Rpim | 0.049 | 0.016 | 1.050 |
Total number of observations | 255445 | ||
Number of reflections | 12372 | ||
<I/σ(I)> | 11.2 | 8.6 | 0.1 |
Completeness [%] | 99.9 | 98.8 | 99.8 |
Redundancy | 20.6 | 16.8 | 20.9 |
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 |