5BY7
AbyA1 - tetronic acid condensing enzyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2014-06-30 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 176.710, 58.690, 128.800 |
Unit cell angles | 90.00, 95.43, 90.00 |
Refinement procedure
Resolution | 55.670 - 1.800 |
R-factor | 0.18717 |
Rwork | 0.185 |
R-free | 0.22125 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.933 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 55.670 |
High resolution limit [Å] | 1.800 |
Number of reflections | 122145 |
<I/σ(I)> | 10.6 |
Completeness [%] | 100.0 |
Redundancy | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | in 12.5 % w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 0.2M 1,6-hexanediol, 0.2 M 1-butanol, 0.2 M (RS)-1,2-propanediol, 0.2 M 2-propanol, 0.2 M 1,4-butanediol, 0.2 M 1,3-propanediol, 0.1 M MOPS/HEPES-Na |