5OCR
Crystal structure of the kappa-carrageenase zobellia_236 from Zobellia galactanivorans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 |
Unit cell lengths | 40.960, 83.040, 85.710 |
Unit cell angles | 72.56, 88.34, 89.48 |
Refinement procedure
Resolution | 81.740 - 1.660 |
R-factor | 0.16986 |
Rwork | 0.168 |
R-free | 0.20599 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dyp |
RMSD bond length | 0.021 |
RMSD bond angle | 2.104 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.700 | 1.700 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmerge | 0.052 | 0.520 |
Number of reflections | 132172 | 20564 |
<I/σ(I)> | 11.97 | 1.64 |
Completeness [%] | 93.9 | 90.1 |
Redundancy | 1.98 | 1.7 |
CC(1/2) | 0.999 | 0.771 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 27-29 % PEG 3350, 100 mM MES buffer at pH 6.5, 0.3 M NaNO3 |