8JKU
Ancestal imine reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-27 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.979183 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.676, 76.167, 104.962 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.650 - 2.570 |
R-factor | 0.1999 |
Rwork | 0.197 |
R-free | 0.25920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond angle | 9.372 |
Data reduction software | XDS (v0.7.7) |
Data scaling software | XDS (v0.7.7) |
Phasing software | PHENIX (V1.20.1_4487) |
Refinement software | PHENIX (V1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.650 | 8.120 |
High resolution limit [Å] | 2.570 | 2.570 |
Number of reflections | 21985 | 18223 |
<I/σ(I)> | 10.2 | |
Completeness [%] | 97.0 | |
Redundancy | 3.1 | |
CC(1/2) | 0.993 | 0.993 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291.15 | PEG 3350, sodium chloride, Bis-tris |