6NLB
Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-apo
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-11-15 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 31 |
| Unit cell lengths | 42.892, 42.892, 102.168 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.150 - 2.300 |
| R-factor | 0.19156 |
| Rwork | 0.188 |
| R-free | 0.25762 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pga |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.246 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.150 | 2.363 |
| High resolution limit [Å] | 2.300 | 2.304 |
| Rmerge | 0.100 | |
| Number of reflections | 7581 | 126 |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 86.0 | 20.11 |
| Redundancy | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 31% PEG 4,000 0.1M Tris pH 8.5 200mM MgCl2 |
