4J6J
Crystal structure of calcium2+-free wild-type CD23 lectin domain (crystal form A)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 |
Unit cell lengths | 52.691, 56.863, 62.487 |
Unit cell angles | 68.45, 87.83, 73.56 |
Refinement procedure
Resolution | 15.570 - 1.900 |
R-factor | 0.1913 |
Rwork | 0.190 |
R-free | 0.21680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4g96 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (BUSTER 2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.960 | |
High resolution limit [Å] | 1.900 | |
Rmerge | 0.395 | |
Number of reflections | 48544 | |
<I/σ(I)> | 2.73 | |
Completeness [%] | 96.1 | 96.3 |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.7 | 298 | 16 % (w/v) PEG 6,000, 2 % (v/v) 1,6-hexanediol, 0.05 M ammonium sulfate and 0.1 M sodium acetate pH 4.7 , VAPOR DIFFUSION, SITTING DROP, temperature 298K |