1MQQ
THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE FROM BACILLUS STEAROTHERMOPHILUS T-1 COMPLEXED WITH GLUCURONIC ACID
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2001-07-12 |
Detector | BRANDEIS - B4 |
Wavelength(s) | 1.1 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 74.092, 74.092, 331.863 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.650 |
Rwork | 0.185 |
R-free | 0.22850 |
Structure solution method | AB INITIO |
Starting model (for MR) | PDB CODE 1K9D |
RMSD bond length | 0.011 |
RMSD bond angle | 0.024 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.079 | 0.452 |
Number of reflections | 111221 | |
<I/σ(I)> | 7.9 | |
Completeness [%] | 98.9 | 91 |
Redundancy | 10 | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 12% isopropanol, 14% PEG 4K, 0.1M Na-citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |