2X45
Crystal Structure of Arg r 1 in complex with histamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.147, 61.817, 63.871 |
| Unit cell angles | 90.00, 105.14, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.400 |
| R-factor | 0.13302 |
| Rwork | 0.130 |
| R-free | 0.18348 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x46 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.590 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.500 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.130 | 0.830 |
| Number of reflections | 79040 | |
| <I/σ(I)> | 12.1 | 3 |
| Completeness [%] | 99.8 | 98.8 |
| Redundancy | 7.4 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 30% POLYETHYLENE GLYCOL 4000, 0.1 M TRIS.HCL, PH 8.5, 0.2 M SODIUM ACETATE |
