1A8I
SPIROHYDANTOIN INHIBITOR OF GLYCOGEN PHOSPHORYLASE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-05-18 |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 127.470, 127.470, 115.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.900 - 1.780 |
| Rwork | 0.182 |
| R-free | 0.22900 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | A 1.5 ANGSTROMS MODEL (E.P.MITCHELL UNPUBLISHED) AND PDB ENTRY 1GPB |
| RMSD bond length | 0.016 * |
| RMSD bond angle | 1.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.900 | 1.870 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.034 | 0.174 |
| Total number of observations | 198525 * | |
| Number of reflections | 78974 | |
| <I/σ(I)> | 16.4 | 4 |
| Completeness [%] | 86.4 | 65.7 |
| Redundancy | 2.6 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.7 | 16 * | THE PROTEIN WAS CRYSTALLIZED FROM 0.01 M BES, PH 6.7, 0.003 M DTT, 0.001 M SPERMINE, 0.0001 M SODIUM EDTA, 0.02 % SODIUM AZIDE AT 16 DEGREES C. THE CRYSTALS WERE SOAKED IN 0.1 M SPIROHYDANTOIN AND CRYOPROTECTED WITH 25% (V/V) MPD (2-METHYL-2,4- PENTANEDIOL)., temperature 289K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 27-28 (mg/ml) | |
| 2 | 1 | 1 | spermine | 1 (mM) | |
| 3 | 1 | 1 | BES | 10 (mM) | |
| 4 | 1 | 1 | dithiothreitol | 3 (mM) | |
| 5 | 1 | 1 | EDTA | 0.1 (mM) | |
| 6 | 1 | 1 | sodium azide | 0.02 (%) |
