1OOC
Mutations in the T1.5 loop of pectate lyase A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 153 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-01-24 |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 94.758, 151.205, 50.897 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 2.900* |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.27480 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1JTA with out residues 215-226 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.570 * |
| 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] | 50.000 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.097 * | 0.273 * |
| Total number of observations | 128721 * | |
| Number of reflections | 14754 | |
| <I/σ(I)> | 23.6 | 14.6 |
| Completeness [%] | 91.6 | 81 |
| Redundancy | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 * | PEG 5000 monomethyl ether (MME), 0.1M MES (2-[N-Morpholino]ethanesulfonic acid), pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG5000 MME | 17.6-20 (%) | |
| 2 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |
| 3 | 1 | drop | protein | 8.72 (mg/ml) | |
| 4 | 1 | drop | PEG5000 MME | 2.9-3.3 (%) | |
| 5 | 1 | drop | MES | 0.02 (M) | pH6.5 |
