4UYP
High resolution structure of the third cohesin ScaC in complex with the ScaB dockerin with a mutation in the N-terminal helix (IN to SI) from Acetivibrio cellulolyticus displaying a type I interaction.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-05 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 107.750, 107.750, 100.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.190 - 1.490 |
R-factor | 0.15696 |
Rwork | 0.155 |
R-free | 0.18536 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ccl |
RMSD bond length | 0.027 |
RMSD bond angle | 2.867 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.190 | 1.530 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.070 | 0.590 |
Number of reflections | 96788 | |
<I/σ(I)> | 15.9 | 2.7 |
Completeness [%] | 99.9 | 99 |
Redundancy | 6.6 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.5 M AMMONIUM SULFATE, 0.1 M HEPES PH 7.5, 30%(V/V) MPD |