3MRV
Glycogen phosphorylase complexed with 3-hydroxybenzaldehyde-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 | 128.866, 128.866, 116.324 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.090 - 1.940 |
R-factor | 0.1935 |
Rwork | 0.192 |
R-free | 0.21633 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2prj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.189 |
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] | 30.000 | 1.970 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.087 | 0.529 |
Number of reflections | 72392 | |
<I/σ(I)> | 9.73 | 3.7 |
Completeness [%] | 99.4 | 100 |
Redundancy | 5.2 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 6.7 | 289 | 20mM inhibitor in 20% DMSO soaked with T-state native enzyme crystals for 3.5 hrs, pH 6.7, SMALL TUBES, temperature 289K |