4F79
The crystal structure of 6-phospho-beta-glucosidase mutant (E375Q) in complex with Salicin 6-phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97931 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 82.278, 82.278, 221.211 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.966 - 2.540 |
R-factor | 0.1826 |
Rwork | 0.180 |
R-free | 0.22890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | : 3PN8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.058 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.000 | 2.590 |
High resolution limit [Å] | 2.540 | 2.540 |
Rmerge | 0.087 | 0.636 |
Number of reflections | 25874 | |
<I/σ(I)> | 25.8 | 2.3 |
Completeness [%] | 99.4 | 100 |
Redundancy | 6.7 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.1M HEPES:NaOH, 25% (w/v) PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |