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 |
