7DEX
Crystal Structures of Anthocyanin 5,3'-aromatic acyltransferase H174A mutant with caffeoyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-08-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 51.858, 117.894, 184.058 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.650 - 2.500 |
| R-factor | 0.1962 |
| Rwork | 0.193 |
| R-free | 0.25610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e1u |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.176 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.650 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.110 | 1.107 |
| Number of reflections | 19939 | 2826 |
| <I/σ(I)> | 14.2 | |
| Completeness [%] | 99.8 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Hepes, sodium citrate |
