4Z8B
crystal structure of a DGL mutant - H51G H131N
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-10-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 62.350, 67.080, 108.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.669 - 1.951 |
R-factor | 0.2034 |
Rwork | 0.201 |
R-free | 0.24330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dgl |
RMSD bond length | 0.003 |
RMSD bond angle | 0.766 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.670 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.090 | 0.396 |
Number of reflections | 12687 | |
<I/σ(I)> | 16.04 | 5.9 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 13.2 | 13.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | RESERVOIR SOLUTION:100 mM HEPES, 14% polyethylene glycol 400 PROTEIN SOLUTION: 10 mM HEPES, 2 mM Cl2Ca, 2 mM Cl2Mn 3 mM X-Man (5-bromo-4-chloro-3-indolyl-ALPHA-D-mannose |