6X1U
Structure of pHis Fab (SC39-4) in complex with pHis mimetic peptide
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 | 2016-07-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97741 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.061, 86.111, 167.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.800 - 1.641 |
R-factor | 0.1912 |
Rwork | 0.189 |
R-free | 0.22470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dtf |
RMSD bond length | 0.012 |
RMSD bond angle | 1.331 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.16_3549: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.800 | 1.680 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.880 | 1.510 |
Rmeas | 0.100 | |
Rpim | 0.460 | 0.805 |
Number of reflections | 116971 | 5698 |
<I/σ(I)> | 13.3 | 1.1 |
Completeness [%] | 99.1 | 98 |
Redundancy | 4.5 | 4.4 |
CC(1/2) | 0.886 | 0.492 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 0.1 M Sodium acetate pH 4.5, 20 % PEG3000 |