3ACG
Crystal Structure of Carbohydrate-Binding Module Family 28 from Clostridium josui Cel5A in complex with cellobiose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-13 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.468, 63.820, 75.449 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.270 - 1.500 |
R-factor | 0.149 |
Rwork | 0.147 |
R-free | 0.19000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uww |
RMSD bond length | 0.030 |
RMSD bond angle | 2.507 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 31189 | |
<I/σ(I)> | 25.5 | 2.7 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 6.9 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG 8000, KH2PO4, vapor diffusion, sitting drop, temperature 277K |