3KRG
Structural insights into substrate specificity and the anti beta-elimination mechanism of pectate lyase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-31 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.970 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.626, 69.066, 59.656 |
| Unit cell angles | 90.00, 113.85, 90.00 |
Refinement procedure
| Resolution | 29.180 - 1.900 |
| R-factor | 0.135 |
| Rwork | 0.132 |
| R-free | 0.19600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2o0v |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.648 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.010 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.057 | 0.067 |
| Number of reflections | 28827 | |
| <I/σ(I)> | 23.8 | 18.3 |
| Completeness [%] | 97.2 | 96.1 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 25% PEG 4000, 0.2M ammonium acetate, 0.1M sodium acetate, 50% PEG, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
