4BK6
Crystal Structure of a dimeric variant of 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 | 40.070, 61.220, 60.090 |
| Unit cell angles | 90.00, 107.73, 90.00 |
Refinement procedure
| Resolution | 57.330 - 1.630 |
| R-factor | 0.184 |
| Rwork | 0.181 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a88 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.930 |
| 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] | 57.330 | 1.720 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.060 | 0.620 |
| Number of reflections | 34452 | |
| <I/σ(I)> | 13.2 | 1.9 |
| Completeness [%] | 99.5 | 99 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 27 % PEG 3350, 0.1 M NA-ACETAT TRIHYDRATE PH 5.5 |
