4EAN
1.75A resolution structure of indole bound beta-glycosidase (W33G) from sulfolobus solfataricus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-01-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 167.544, 167.544, 95.232 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.932 - 1.750 |
R-factor | 0.1748 |
Rwork | 0.174 |
R-free | 0.19140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ceq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.211 |
Data reduction software | XDS |
Data scaling software | SCALA (CCP4_3.3.20) |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX (dev_1011) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.840 |
High resolution limit [Å] | 1.750 | 5.530 | 1.750 |
Rmerge | 0.079 | 0.030 | 0.650 |
Total number of observations | 30787 | 154280 | |
Number of reflections | 153873 | ||
<I/σ(I)> | 14.3765 | ||
Completeness [%] | 99.8 | 97.61 | 99.95 |
Redundancy | 6.69 | 6.17 | 6.91 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | 45% MPD, 100 mM Bis-Tris, 200 mM Calcium Chloride, pH 6.5, VAPOR DIFFUSION, temperature 293K |