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 |