6E1Q
AtGH3.15 acyl acid amido synthetase in complex with 2,4-DB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-03-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 153.798, 154.789, 73.424 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.697 - 2.148 |
| R-factor | 0.1833 |
| Rwork | 0.182 |
| R-free | 0.21370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6avh |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.919 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.700 | 2.190 |
| High resolution limit [Å] | 2.148 | 2.148 |
| Number of reflections | 47900 | |
| <I/σ(I)> | 18.5 | 2 |
| Completeness [%] | 99.5 | 98.1 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 1.2 M potassium phosphate dibasic, 0.8 M sodium phosphate monobasic, 0.1 M sodium acetate/acetic acid, 2.5 mM 2,4-DB |
