5GMU
Crystal structure of chorismate mutase like domain of bifunctional DAHP synthase of Bacillus subtilis in complex with Chlorogenic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR-H |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-05-20 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.685, 47.049, 56.797 |
| Unit cell angles | 90.00, 107.23, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.17728 |
| Rwork | 0.175 |
| R-free | 0.21523 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nvt |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.769 |
| Data reduction software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 0.266 |
| Number of reflections | 16372 | |
| <I/σ(I)> | 24.58 | 3.76 |
| Completeness [%] | 98.0 | 88 |
| Redundancy | 3.4 | 2.7 |
| CC(1/2) | 0.926 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.2M Potassium sodium tartrate tetrahydrate, 0.1M Sodium citrate tribasic dihydrate pH 5.6, 2.0M Ammonium sulfate |
