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 |
