4BTZ
Crystal Structure of peroxinitrite treated Major Birch Pollen Allergen Bet v 1.0101 (isoform a)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Collection date | 2013-07-23 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.400, 54.550, 37.610 |
| Unit cell angles | 90.00, 93.04, 90.00 |
Refinement procedure
| Resolution | 37.560 - 1.470 |
| R-factor | 0.19009 |
| Rwork | 0.188 |
| R-free | 0.23467 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a88 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.627 |
| 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] | 37.560 | 1.550 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.050 | 0.470 |
| Number of reflections | 21550 | |
| <I/σ(I)> | 9.3 | 2.1 |
| Completeness [%] | 97.1 | 98 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
