4EW9
The liganded structure of C. bescii family 3 pectate lyase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-11 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 136.946, 35.898, 98.687 |
| Unit cell angles | 90.00, 132.00, 90.00 |
Refinement procedure
| Resolution | 33.850 - 1.600 |
| R-factor | 0.16584 |
| Rwork | 0.164 |
| R-free | 0.20374 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t9g |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.175 |
| Data reduction software | PROTEUM PLUS (PLUS) |
| Data scaling software | PROTEUM PLUS (PLUS) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 47595 | |
| <I/σ(I)> | 13.62 | 2.74 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.83 | 3.01 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.1 M HEPES pH 7.5, 70% v/v (+/-)-2-Methyl 2,4-pentanediol, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
