6Y3Q
Streptavidin mutant S112R_K121E with a biotC5-1 cofactor - an artificial iron hydroxylase
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 57.261, 57.261, 182.104 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.688 - 1.950 |
| Rwork | 0.209 |
| R-free | 0.25760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pk2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.925 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.530 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.158 | 3.472 |
| Number of reflections | 11556 | 790 |
| <I/σ(I)> | 16.7 | 1.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 23.2 | 23.1 |
| CC(1/2) | 0.998 | 0.840 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 2 M (NH4)2SO4, 0.1 M Na-Acetate, pH 4 |
