4K55
Structure of the extracellular domain of butyrophilin BTN3A1 in complex with (E)-4-hydroxy-3-methyl-but-2-enyl pyrophosphate (HMBPP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.766, 107.744, 32.716 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.520 - 1.910 |
| R-factor | 0.19446 |
| Rwork | 0.192 |
| R-free | 0.25641 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.508 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.520 | 1.980 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.046 | 0.074 |
| Number of reflections | 10398 | |
| <I/σ(I)> | 30 | 19 |
| Completeness [%] | 99.1 | 97.2 |
| Redundancy | 4.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.12 M ethylene glycols, 0.1 M buffer system 1, 30% PEG 550 MME and PEG 20,000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
