3DD5
Glomerella cingulata E600-cutinase complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-08-10 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.470, 117.370, 95.240 |
| Unit cell angles | 90.00, 103.57, 90.00 |
Refinement procedure
| Resolution | 19.800 - 2.600 |
| R-factor | 0.219 |
| Rwork | 0.215 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dcn |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.477 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.122 | 0.416 |
| Number of reflections | 47279 | |
| <I/σ(I)> | 9.4 | 2.3 |
| Completeness [%] | 98.0 | 95.9 |
| Redundancy | 2.9 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | 0.1M magnesium acetate, 18% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
