1L5Q
Human liver glycogen phosphorylase a complexed with caffeine, N-Acetyl-beta-D-glucopyranosylamine, and CP-403700
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-11-05 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 31 |
| Unit cell lengths | 124.713, 124.713, 124.450 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 * - 2.250 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.24300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 * |
| RMSD bond angle | 1.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.1) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.066 * | 0.475 * |
| Total number of observations | 183471 * | |
| Number of reflections | 113786 * | |
| <I/σ(I)> | 9.4 | 1.4 |
| Completeness [%] | 90.0 | 60.3 |
| Redundancy | 1.6 * | 0.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 * | 17 * | MES, MPD, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 25-30 (mg/ml) | |
| 2 | 1 | drop | sodium BES | 20 (mM) | pH6.8 |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | dithiothreitol | 0.5 (mM) | |
| 5 | 1 | reservoir | sodium MES | 0.1 (M) | pH6.0 |
| 6 | 1 | reservoir | MPD | 25-35 (%) |
