3ZUC
Structure of CBM3b of major scaffoldin subunit ScaA from Acetivibrio cellulolyticus determined from the crystals grown in the presence of Nickel
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-06-25 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 52.697, 52.697, 194.159 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.426 - 1.001 |
R-factor | 0.1251 |
Rwork | 0.125 |
R-free | 0.13600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zqw |
RMSD bond length | 0.011 |
RMSD bond angle | 1.402 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.020 |
High resolution limit [Å] | 1.000 | 1.000 |
Rmerge | 0.050 | 0.570 |
Number of reflections | 87445 | |
<I/σ(I)> | 33.2 | 1.6 |
Completeness [%] | 98.4 | 82.2 |
Redundancy | 7.6 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 1.9 M AMMONIUM SULFATE,0.1 M HEPES PH 7.5 0.5% (W/V) POLYETHYLENE GLYCOL 400 0.2M NICKEL CHLORIDE |