7L8N
Diadenylate cyclase with AMP from Streptococcus mutans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 76.360, 84.590, 100.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.970 - 1.940 |
R-factor | 0.1644 |
Rwork | 0.161 |
R-free | 0.20690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rv7 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.062 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.980 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.092 | |
Number of reflections | 24283 | 8160 |
<I/σ(I)> | 19.46 | |
Completeness [%] | 99.8 | |
Redundancy | 13.79 | |
CC(1/2) | 0.999 | 0.945 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1M sodium malonate pH 5.0, 0.1M sodium acetate trihydrate pH 4.5, 2% PEG 20000 |