4BK7
Crystal Structure of a variant of the Major Birch Pollen Allergen Bet v 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-09-10 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.732, 55.811, 38.099 |
| Unit cell angles | 90.00, 93.25, 90.00 |
Refinement procedure
| Resolution | 38.040 - 1.140 |
| R-factor | 0.13656 |
| Rwork | 0.134 |
| R-free | 0.17545 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a88 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.547 |
| 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] | 55.810 | 1.200 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Rmerge | 0.040 | 0.270 |
| Number of reflections | 47976 | |
| <I/σ(I)> | 17.1 | 3.5 |
| Completeness [%] | 96.3 | 80.7 |
| Redundancy | 3.2 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 2M AMMONIUM SULFATE, 1.5 % MPD, pH 4.5 |
