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 |