6JEQ
Crystal structure of Pullulanase from Paenibacillus barengoltzii complex with beta-cyclodextrin
Replaces: 5WW1Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-28 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 50.108, 97.866, 141.027 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.216 - 1.802 |
R-factor | 0.1631 |
Rwork | 0.161 |
R-free | 0.19740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2e8y |
RMSD bond length | 0.006 |
RMSD bond angle | 0.878 |
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 | 1.840 |
High resolution limit [Å] | 1.802 | 1.802 |
Rmerge | 0.103 | 0.548 |
Number of reflections | 64360 | 3295 |
<I/σ(I)> | 27 | 4.833 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 12 | 11.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.08M calcium chloride, 0.1M MES, 22% PEG 3350, 0.7% beta-OG, pH 6.5 |