4XEB
The structure of P. funicolosum Cel7A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-15 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.54188 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 70.972, 61.836, 85.849 |
Unit cell angles | 90.00, 98.77, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.700 |
R-factor | 0.13954 |
Rwork | 0.138 |
R-free | 0.20301 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pl3 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.904 |
Data scaling software | PROTEUM PLUS |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.840 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.103 | 0.399 |
Number of reflections | 40134 | |
<I/σ(I)> | 12.99 | 1.66 |
Completeness [%] | 99.0 | 94.4 |
Redundancy | 8.63 | 2.13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | Sitting drop with 50 uL of well solution and drops containing 0.5 uL of well solution and 1.5 uL of protein solution. Well solution: 0.27 M sodium phosphate, 1.53 M potassium phosphate dibasic pH 4.0; Protein solution: 15.5 mg/ml of protein in 20 mM acetate, pH 5.0, 100 mM NaCl, 50 mM cellobiose, 5 mM cellohexaose |