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 |
