4MLG
Structure of RS223-Beta-xylosidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2011-11-27 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 124.525, 148.702, 125.648 |
Unit cell angles | 90.00, 112.87, 90.00 |
Refinement procedure
Resolution | 29.200 - 2.700 |
R-factor | 0.2122 |
Rwork | 0.210 |
R-free | 0.25690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qed |
RMSD bond length | 0.002 |
RMSD bond angle | 0.649 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.750 |
High resolution limit [Å] | 2.700 | 7.300 | 2.700 |
Rmerge | 0.124 | 0.049 | 0.681 |
Number of reflections | 115303 | ||
<I/σ(I)> | 11.5 | 27.38 | 2.05 |
Completeness [%] | 99.0 | 99.7 | 97.3 |
Redundancy | 4.7 | 4.7 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 298 | 20% PEG 3350, 100mM Bis-Tris, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K |