4J6K
Crystal structure of calcium2+-free wild-type CD23 lectin domain (crystal form B)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 |
Unit cell lengths | 52.560, 56.130, 108.520 |
Unit cell angles | 79.79, 84.85, 70.22 |
Refinement procedure
Resolution | 45.420 - 2.300 |
R-factor | 0.1927 |
Rwork | 0.191 |
R-free | 0.21790 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (BUSTER 2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 106.700 | |
High resolution limit [Å] | 2.300 | |
Rmerge | 0.257 | |
Number of reflections | 47059 | |
<I/σ(I)> | 3 | |
Completeness [%] | 92.3 | 93.5 |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 18 % (w/v) PEG 6,000, 2 % (v/v) 1,6-hexanediol, 0.05 M ammonium sulfate and 0.1 M sodium acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |