8A9S
Crystal structure of Ca2+-discharged obelin in complex with coelenteramine-v
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-13 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 61 |
Unit cell lengths | 77.281, 77.281, 182.224 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.460 - 2.100 |
R-factor | 0.1606 |
Rwork | 0.160 |
R-free | 0.21030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1el4 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.495 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | Auto-Rickshaw |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.460 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.113 | 1.470 |
Number of reflections | 35579 | 3561 |
<I/σ(I)> | 10.07 | 1.92 |
Completeness [%] | 99.2 | |
Redundancy | 3.4 | |
CC(1/2) | 0.995 | 0.399 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.6 M sodium tribasic dihydrate |