8CIK
Altai wapiti (Cervus elaphus sibiricus) chymosin at 2.2 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-25 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.390, 41.630, 54.550 |
Unit cell angles | 90.00, 98.31, 90.00 |
Refinement procedure
Resolution | 46.190 - 2.220 |
R-factor | 0.2012 |
Rwork | 0.198 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.506 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.350 |
High resolution limit [Å] | 2.220 | 2.220 |
Rmerge | 0.095 | 1.661 |
Rmeas | 0.114 | 1.972 |
Number of reflections | 15426 | 2365 |
<I/σ(I)> | 7.58 | 0.78 |
Completeness [%] | 96.6 | 92.5 |
Redundancy | 3.4 | 3.5 |
CC(1/2) | 0.990 | 0.516 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | PEG 6000, tris, calcium chloride |