7XBV
Crystal structure of the adenylation domain of CmnG in complex with AMPCPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-03-11 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.932, 78.097, 82.211 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.940 - 1.940 |
| R-factor | 0.1858 |
| Rwork | 0.184 |
| R-free | 0.22460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xbu |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.308 |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.020 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Number of reflections | 32099 | 3003 |
| <I/σ(I)> | 30.125 | 2.93 |
| Completeness [%] | 99.3 | 94.2 |
| Redundancy | 7.7 | 6.1 |
| CC(1/2) | 0.975 | 0.885 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.8 M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, pH 5.0. |
