5W2R
Crystal structure of mutant CJ YCEI protein (CJ-G34C) 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 | 2016-04-06 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0 |
Spacegroup name | P 6 2 2 |
Unit cell lengths | 178.337, 178.337, 50.318 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.114 - 2.900 |
R-factor | 0.2187 |
Rwork | 0.216 |
R-free | 0.27320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5w2d |
RMSD bond length | 0.012 |
RMSD bond angle | 1.688 |
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] | 38.114 | 38.113 | 3.060 |
High resolution limit [Å] | 2.900 | 9.170 | 2.900 |
Rmerge | 0.072 | 4.122 | |
Rmeas | 0.262 | 0.074 | 4.230 |
Rpim | 0.059 | 0.018 | 0.945 |
Number of reflections | 10917 | ||
<I/σ(I)> | 9.4 | 7.3 | 0.2 |
Completeness [%] | 99.7 | 98.6 | 99.1 |
Redundancy | 20.1 | 16.7 | 20 |
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 |