7EG3
Crystal structure of the apoAequorin complex with (S)-HM-daCTZ
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-22 |
Detector | RAYONIX MX225-HS |
Wavelength(s) | 1 |
Spacegroup name | P 1 |
Unit cell lengths | 90.800, 98.020, 121.420 |
Unit cell angles | 77.63, 73.23, 75.22 |
Refinement procedure
Resolution | 45.880 - 2.090 |
R-factor | 0.2179 |
Rwork | 0.218 |
R-free | 0.24460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ej3 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX (1.18.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.880 | 45.880 | 2.220 |
High resolution limit [Å] | 2.090 | 6.230 | 2.090 |
Rmerge | 0.081 | 0.044 | 0.437 |
Rmeas | 0.094 | 0.051 | 0.507 |
Total number of observations | 857325 | ||
Number of reflections | 219672 | 8452 | 34080 |
<I/σ(I)> | 11.64 | 24.94 | 3.28 |
Completeness [%] | 97.4 | 98.4 | 93.5 |
Redundancy | 3.903 | 3.875 | 3.817 |
CC(1/2) | 0.996 | 0.996 | 0.903 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.9 M (NH4)2SO4, 0.2 M K2HPO4 |