3MT8
Glycogen phosphorylase complexed with 4-chlorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX10.1 |
Synchrotron site | SRS |
Beamline | PX10.1 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2007-11-19 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.04498 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 128.150, 128.150, 115.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.690 - 2.000 |
R-factor | 0.1945 |
Rwork | 0.193 |
R-free | 0.21418 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2prj |
RMSD bond length | 0.007 |
RMSD bond angle | 1.026 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.690 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.054 | 0.221 |
Number of reflections | 63139 | |
<I/σ(I)> | 21.3 | 7.2 |
Completeness [%] | 97.0 | 97.1 |
Redundancy | 5.4 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 6.7 | 289 | Crystals grown from 20 mg/ml protein in a buffer of 10 mM BES, pH 6.7, 1mM EDTA, 3mM DTT. Crystals soaked with 20mM inhibitor in 20% DMSO for 21 hrs, SMALL TUBES, temperature 289K |