8CKD
PBP AccA from A. fabrum C58 in complex with agrocinopine D-like
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98010 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 78.090, 108.220, 113.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.190 - 1.600 |
| R-factor | 0.1793 |
| Rwork | 0.178 |
| R-free | 0.20450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (21-NOV-2022)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.200 | 1.710 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.150 | 1.360 |
| Number of reflections | 63379 | 10139 |
| <I/σ(I)> | 12.98 | |
| Completeness [%] | 100.0 | |
| Redundancy | 9 | |
| CC(1/2) | 0.998 | 0.587 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | PEG 4000, NH4 acetate, citrate Na |
