4A8V
Crystal Structure of Birch Pollen Allergen Bet v 1 isoform j in complex with 8-Anilinonaphthalene-1-sulfonate (ANS)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.760, 56.000, 38.080 |
| Unit cell angles | 90.00, 93.40, 90.00 |
Refinement procedure
| Resolution | 38.010 - 1.230 |
| R-factor | 0.13657 |
| Rwork | 0.135 |
| R-free | 0.17094 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a80 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.751 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.240 | 1.300 |
| High resolution limit [Å] | 1.230 | 1.230 |
| Rmerge | 0.080 | 0.150 |
| Number of reflections | 39178 | |
| <I/σ(I)> | 11.5 | 5.3 |
| Completeness [%] | 98.3 | 88.8 |
| Redundancy | 3.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
