2XFD
vCBM60 in complex with cellobiose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 287 |
Detector technology | CCD |
Collection date | 2009-04-20 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 29.610, 41.990, 80.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.040 - 1.190 |
R-factor | 0.11854 |
Rwork | 0.117 |
R-free | 0.14795 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | APO-VCBM60 |
RMSD bond length | 0.023 |
RMSD bond angle | 1.890 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.040 | 1.220 |
High resolution limit [Å] | 1.190 | 1.190 |
Rmerge | 0.060 | 0.180 |
Number of reflections | 30656 | |
<I/σ(I)> | 12.9 | 6.7 |
Completeness [%] | 98.4 | 98.8 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 2.4 M SODIUM MALONATE, 10 MM CELLOTRIOSE, pH 8 |