7YOA
High-resolution crystal structure of the mouse alpha-defensin cryptdin 14
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 | 2022-01-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 54.436, 54.436, 99.457 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.220 - 1.670 |
R-factor | 0.2241 |
Rwork | 0.223 |
R-free | 0.25440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gw9 |
Data reduction software | HKL-3000 (7.21) |
Data scaling software | HKL-3000 (7.21) |
Phasing software | PHASER (2.7.0) |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.700 |
High resolution limit [Å] | 1.670 | 4.530 | 1.670 |
Rmerge | 0.053 | 0.044 | 0.318 |
Rmeas | 0.054 | 0.045 | 0.323 |
Rpim | 0.008 | 0.056 | |
Number of reflections | 17321 | 641 | 460 |
<I/σ(I)> | 9.5 | ||
Completeness [%] | 98.7 | 99.8 | 88.5 |
Redundancy | 35.4 | 31.7 | 29 |
CC(1/2) | 0.999 | 0.989 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 300 | 0.1 M Sodium acetate trihydrate;1.5 M ammonium sulfate |