7Y78
Crystal structure of Cry78Aa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9789 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 66.936, 132.741, 314.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.780 - 2.900 |
R-factor | 0.2793 |
Rwork | 0.279 |
R-free | 0.28220 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.727 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.970 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.102 | 0.702 |
Rmeas | 0.111 | 0.761 |
Rpim | 0.043 | 0.292 |
Number of reflections | 63102 | 4303 |
<I/σ(I)> | 12.6 | 2.7 |
Completeness [%] | 99.6 | 93.3 |
Redundancy | 6.6 | 6.6 |
CC(1/2) | 0.996 | 0.933 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | Tris-HCl, PEG3350, ammonium chloride |