3MS4
Glycogen phosphorylase complexed with 4-trifluoromethylbenzaldehyde-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] | 298 |
| Detector technology | CCD |
| Collection date | 2008-02-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97976 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.915, 128.915, 116.965 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.430 - 2.070 |
| R-factor | 0.19544 |
| Rwork | 0.193 |
| R-free | 0.23505 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2prj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.210 |
| 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] | 99.000 | 2.110 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.081 | 0.473 |
| Number of reflections | 56442 | |
| <I/σ(I)> | 10.47 | 2.81 |
| Completeness [%] | 93.1 | 77.8 |
| Redundancy | 4.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 6.7 | 289 | Crystals grown from 20 mg/ml of protein in a buffer solution containing 10 mM BES pH 6.7, 1 mM EDTA, 3 mM DTT. Crystals were soaked with 10mM inhibitor in 20% DMSO for 7 hrs, pH 6.7, SMALL TUBES, temperature 289K |
