2O0W
Pectate lyase bound to hexasaccharide compound IV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.93100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.725, 68.956, 59.482 |
| Unit cell angles | 90.00, 112.70, 90.00 |
Refinement procedure
| Resolution | 45.270 - 1.900 |
| R-factor | 0.15603 |
| Rwork | 0.154 |
| R-free | 0.19782 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.149 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.780 | |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.052 | 0.127 |
| Number of reflections | 41253 | |
| <I/σ(I)> | 18.8 | 7.4 |
| Completeness [%] | 99.9 | 93.7 |
| Redundancy | 3.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.1M Sodium acetate pH 4.6, 0.2M Ammonium acetate, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
