6X1S
Structure of pHis Fab (SC1-1) in complex with pHis mimetic peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-15 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.03315 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 86.790, 72.251, 156.747 |
| Unit cell angles | 90.00, 95.83, 90.00 |
Refinement procedure
| Resolution | 46.720 - 1.650 |
| R-factor | 0.2012 |
| Rwork | 0.200 |
| R-free | 0.22570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dtf |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.815 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.720 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.116 | 1.300 |
| Rmeas | 0.126 | 1.440 |
| Rpim | 0.050 | 0.613 |
| Number of reflections | 230655 | 11403 |
| <I/σ(I)> | 14.5 | 1 |
| Completeness [%] | 100.0 | 99.5 |
| Redundancy | 6 | 5.1 |
| CC(1/2) | 0.856 | 0.374 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.29 | 293 | 35 % 2-methyl-2,4-pentanediol, 0.1 M MES pH 6.29, 0.2 M Lithium sulfate |
