4BKC
Crystal Structure of a unusually linked 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 | 2011-07-24 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.880, 60.950, 59.720 |
| Unit cell angles | 90.00, 107.47, 90.00 |
Refinement procedure
| Resolution | 56.970 - 1.730 |
| R-factor | 0.20355 |
| Rwork | 0.201 |
| R-free | 0.24672 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a88 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.906 |
| 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] | 41.620 | 1.630 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.140 | 1.090 |
| Number of reflections | 38874 | |
| <I/σ(I)> | 5.7 | 1.5 |
| Completeness [%] | 98.1 | 98 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M NA ACETATE PH 6.5, 27 % PEG 3350 |
