4BKD
Crystal Structure of an unusually linked dimeric variant of Bet v 1 (b)
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 | C 1 2 1 |
| Unit cell lengths | 112.925, 44.693, 31.976 |
| Unit cell angles | 90.00, 91.13, 90.00 |
Refinement procedure
| Resolution | 56.450 - 1.170 |
| R-factor | 0.17842 |
| Rwork | 0.177 |
| R-free | 0.20172 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a88 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.431 |
| 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] | 56.450 | 1.230 |
| High resolution limit [Å] | 1.170 | 1.170 |
| Rmerge | 0.030 | 0.590 |
| Number of reflections | 52883 | |
| <I/σ(I)> | 17 | 2 |
| Completeness [%] | 97.8 | 91.4 |
| Redundancy | 3.2 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 27 % PEG 3350, 0.1 M NA-ACETATE, PH 6.5 |
