4B9R
Crystal structure of the Major Birch Pollen Allergen Bet v 1.0101 (isoform a) nitrated in vitro with tetranitromethan.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-10 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.410, 55.140, 37.610 |
| Unit cell angles | 90.00, 92.77, 90.00 |
Refinement procedure
| Resolution | 37.570 - 1.760 |
| R-factor | 0.16824 |
| Rwork | 0.164 |
| R-free | 0.24913 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a8u |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.281 |
| 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] | 37.570 | 1.860 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.060 | 0.400 |
| Number of reflections | 12627 | |
| <I/σ(I)> | 12.7 | 3.1 |
| Completeness [%] | 95.9 | 92.3 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 2M AMMONIUM SULFATE 1.5% 2-METHYL-2,4-PENTANDIOL, pH 7 |
