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 |
