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 |