5W31
Crystal structure of mutant CJ YCEI protein (CJ-N48C) with mercuribenzoic 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 | 2017-04-04 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0 |
Spacegroup name | P 6 2 2 |
Unit cell lengths | 178.793, 178.793, 50.814 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.740 - 2.560 |
R-factor | 0.2147 |
Rwork | 0.213 |
R-free | 0.24120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5w2x |
RMSD bond length | 0.014 |
RMSD bond angle | 1.940 |
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] | 38.710 | 38.710 | 2.700 |
High resolution limit [Å] | 2.560 | 8.100 | 2.560 |
Rmerge | 0.048 | 2.680 | |
Rmeas | 0.184 | 0.049 | 2.754 |
Rpim | 0.040 | 0.011 | 0.628 |
Total number of observations | 330151 | ||
Number of reflections | 15939 | ||
<I/σ(I)> | 14.4 | 11.5 | 0.3 |
Completeness [%] | 99.9 | 99.1 | 99.9 |
Redundancy | 20.7 | 17.7 | 19 |
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 |