4CPI
streptavidin A86D mutant with love-hate ligand 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-13 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 81.260, 81.250, 90.690 |
| Unit cell angles | 90.00, 103.84, 90.00 |
Refinement procedure
| Resolution | 39.450 - 1.540 |
| R-factor | 0.1583 |
| Rwork | 0.157 |
| R-free | 0.18150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ry1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.169 |
| Data reduction software | xia2 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.450 | 1.600 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.050 | 0.620 |
| Number of reflections | 84164 | |
| <I/σ(I)> | 15.6 | 2.34 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | CONDITION A9 OF THE MORPHEUS SCREEN: 0.1 M BICINE/TRIZMA BASE PH 8.5, 10% W/V POLYETHYLENE GLYCOL 20,000, 20% V/V POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, 30 MM MAGNESIUM CHLORIDE AND 30 MM CALCIUM CHLORIDE. SITTING DROP. |
