6JHG
Crystal structure of apo Pullulanase from Paenibacillus barengoltzii in space group P212121
Replaces: 5WWBExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 3W1A |
| Synchrotron site | BSRF |
| Beamline | 3W1A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-06-25 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.97924 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.457, 78.834, 116.038 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.631 - 1.891 |
| R-factor | 0.1591 |
| Rwork | 0.157 |
| R-free | 0.20090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e8y |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.793 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.891 | 1.891 |
| Rmerge | 0.072 | 0.316 |
| Number of reflections | 53244 | 2669 |
| <I/σ(I)> | 20.551 | 2.34 |
| Completeness [%] | 99.3 | 97.1 |
| Redundancy | 4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.02M HEPES pH 6.5, 21% PEG 3350, 0.7% beta-OG |
