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 |