8C6Y
PBP AccA from A. tumefaciens Bo542 in apoform 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.878, 58.889, 177.793 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.680 - 1.901 |
R-factor | 0.2201 |
Rwork | 0.218 |
R-free | 0.26090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.188 | 1.832 |
Number of reflections | 40544 | 2912 |
<I/σ(I)> | 11 | |
Completeness [%] | 66.9 | |
Redundancy | 14 | |
CC(1/2) | 0.998 | 0.580 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 292 | PEG 4000, Na citrate, AcNH4 |