4B4F
Thermobifida fusca Cel6B(E3) co-crystallized with cellobiose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH SX-165 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.950, 106.700, 92.470 |
Unit cell angles | 90.00, 89.96, 90.00 |
Refinement procedure
Resolution | 19.920 - 2.200 |
R-factor | 0.18904 |
Rwork | 0.186 |
R-free | 0.24423 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b4h |
RMSD bond length | 0.007 |
RMSD bond angle | 1.147 |
Data scaling software | SCALA |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.900 | 2.800 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.160 | 0.360 |
Number of reflections | 38849 | |
<I/σ(I)> | 6.8 | 3.7 |
Completeness [%] | 91.0 | 87.2 |
Redundancy | 2.9 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4 | 20% PEG6000, 0.1 M SODIUM ACETATE PH 4, 50 MM CALCIUM CHLORIDE, 10 MM CELLOBIOSE |