3ZU8
STRUCTURE OF CBM3B OF MAJOR SCAFFOLDIN SUBUNIT SCAA FROM ACETIVIBRIO CELLULOLYTICUS DETERMINED ON THE NIKEL ABSORPTION EDGE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 52.263, 52.263, 192.938 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.261 - 1.801 |
| R-factor | 0.1554 |
| Rwork | 0.154 |
| R-free | 0.18190 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.109 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX (C D E) |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 0.360 |
| Number of reflections | 15471 | |
| <I/σ(I)> | 43.6 | 4.96 |
| Completeness [%] | 99.3 | 97.1 |
| Redundancy | 10.9 | 9.9 |
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. |
