3T9G
The crystal structure of family 3 pectate lyase from Caldicellulosiruptor bescii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-29 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 36.514, 146.685, 162.159 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.500 |
R-factor | 0.14501 |
Rwork | 0.143 |
R-free | 0.17846 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ee6 |
RMSD bond length | 0.029 |
RMSD bond angle | 2.422 |
Data reduction software | SAINT |
Data scaling software | PROTEUM PLUS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.600 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 70692 | |
<I/σ(I)> | 24.73 | 8.23 |
Completeness [%] | 99.6 | 98.5 |
Redundancy | 6.15 | 3.97 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M ammonium phosphate monobasic, 0.1 M Tris, 50% v/v (+/-)-2-methyl-2,4-pentanediol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |