4J6M
Crystal structure of calcium2+-free wild-type CD23 lectin domain (crystal form D)
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 | 2009-01-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9745 |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.289, 65.098, 106.780 |
| Unit cell angles | 95.26, 88.88, 89.62 |
Refinement procedure
| Resolution | 36.310 - 2.480 |
| R-factor | 0.2099 |
| Rwork | 0.208 |
| R-free | 0.24270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g96 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.150 |
| 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] | 50.000 | 2.570 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.294 | |
| Number of reflections | 46992 | |
| <I/σ(I)> | 2.04 | |
| Completeness [%] | 94.8 | 74.9 |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 22.5 % (w/v) PEG 3,350, 0.2 M ammonium sulfate and 0.1 M MES pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
