6NL9
Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-apo
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0083 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.817, 52.027, 50.148 |
| Unit cell angles | 90.00, 114.48, 90.00 |
Refinement procedure
| Resolution | 45.640 - 1.700 |
| R-factor | 0.18755 |
| Rwork | 0.186 |
| R-free | 0.22378 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pga |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.117 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.640 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.100 | |
| Number of reflections | 21921 | 1276 |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 96.7 | 76.28 |
| Redundancy | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 30% PEG 4000 0.1M HEPES pH 7.5 200 mM MgCl2 |
