1JTA
Crystal Structure of Pectate Lyase A (C2 form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2000-07-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.549, 53.802, 71.039 |
| Unit cell angles | 90.00, 109.45, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 1.800 |
| R-factor | 0.181 |
| Rwork | 0.181 |
| R-free | 0.22530 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PelE from Erwinia chrysanthemi EC16 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.401 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.680 | 1.880 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.041 * | 0.160 * |
| Total number of observations | 88736 * | |
| Number of reflections | 36568 * | |
| Completeness [%] | 88.3 * | 64.9 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7 | 295 | Doan, C.N., (2000) Acta Crystallogr., D56, 351. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG8000 | 6 (%(w/v)) | |
| 2 | 1 | drop | PEG1000 | 6 (%) | |
| 3 | 1 | drop | HEPES | 5 (mM) | pH7.0 |
| 4 | 1 | reservoir | PEG8000 | 12 (%) | |
| 5 | 1 | reservoir | PEG1000 | 12 (%) |
