5M2S
R. flavefaciens' third ScaB cohesin in complex with a group 1 dockerin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-02 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.98402 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.610, 64.490, 47.670 |
Unit cell angles | 90.00, 116.72, 90.00 |
Refinement procedure
Resolution | 42.580 - 1.700 |
R-factor | 0.135 |
Rwork | 0.134 |
R-free | 0.15660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5m2o |
RMSD bond length | 0.010 |
RMSD bond angle | 1.420 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.580 | 32.240 | 1.730 |
High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
Rmerge | 0.115 | 0.063 | 0.287 |
Number of reflections | 26498 | ||
<I/σ(I)> | 9.3 | ||
Completeness [%] | 97.5 | 94.9 | 84.6 |
Redundancy | 4.2 | 4.4 | 3 |
CC(1/2) | 0.991 | 0.988 | 0.834 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 0.2 M calcium acetate, 0.2 M sodium cacodylate trihydrate, 18% w/v PEG 8000 |