4IPN
The complex structure of 6-phospho-beta-glucosidase BglA-2 with thiocellobiose-6P from Streptococcus pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97892 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.030, 66.650, 133.350 |
| Unit cell angles | 90.00, 136.33, 90.00 |
Refinement procedure
| Resolution | 45.954 - 2.411 |
| R-factor | 0.1784 |
| Rwork | 0.174 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.143 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 42473 | |
| Completeness [%] | 98.2 | 94.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 289 | 15% polyethylene glycol 5000MME, 0.1 M sodium citrate tribasic dehydrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
