1SKJ
COCRYSTAL STRUCTURE OF UREA-SUBSTITUTED PHOSPHOPEPTIDE COMPLEX
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 61 |
| Unit cell lengths | 74.400, 74.400, 38.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PROTEIN MODEL FROM 1SPS |
| RMSD bond length | 0.014 |
| RMSD bond angle | 28.600 * |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.109 | 0.276 |
| Number of reflections | 4694 | |
| <I/σ(I)> | 18.9 | 7 |
| Completeness [%] | 95.5 | 96.9 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 20% PEG 6K, 0.1M ODIUM CACODYLATE PH 6, HANGING DROP EXPERIMENT, PROTEIN 29 MG/ ML, INHIBITOR 4 MG/ML, 4:4:2 RATIO (WELL:PROT:INHIB), pH 6.0, vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop1 | 100 (mM) | ||
| 2 | 1 | drop1 | Tris-HCl | 10 (mM) | pH7. |
| 3 | 1 | drop1 | protein | 30 (mg/ml) | |
| 4 | 1 | drop2 | PEG6000 | 20 (%) | |
| 5 | 1 | drop2 | sodium cacodylate | 100 (mM) | pH6. |
| 6 | 1 | drop3 | ligand | 4 (mg/ml) |
