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 |
