6Y0M
Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.92 |
Spacegroup name | P 6 2 2 |
Unit cell lengths | 115.186, 115.186, 45.752 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.877 - 1.500 |
R-factor | 0.1705 |
Rwork | 0.168 |
R-free | 0.21190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4g9a |
RMSD bond length | 0.013 |
RMSD bond angle | 1.316 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.880 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.109 | |
Rpim | 0.018 | 0.538 |
Number of reflections | 29150 | |
<I/σ(I)> | 24.7 | 1.7 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 39 | 35.5 |
CC(1/2) | 0.998 | 0.808 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1M sodium-cacodylate pH 6.5, 1M tri-sodium-citrate Crystals were soaked with a solution of 0.1M sodium-cacodylate at pH 7.1, 1.4M tri-sodium-citrate and 10mM CaCl2 for four days before harvesting which also served as a cryoprotectant. |