1BM2
GRB2-SH2 DOMAIN IN COMPLEX WITH CYCLO-[N-ALPHA-ACETYL-L-THI ALYSYL-O-PHOSPHOTYROSYL-VALYL-ASPARAGYL-VALYL-PROLYL] (PKF273-791)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM1A |
| Synchrotron site | ESRF |
| Beamline | BM1A |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-01-19 |
| Detector | MARRESEARCH |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 83.780, 83.780, 31.990 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.100 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bmb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.044 | 0.199 |
| Number of reflections | 7262 | |
| <I/σ(I)> | 15.3 | 4.1 |
| Completeness [%] | 95.6 | 96.1 |
| Redundancy | 4.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | PROTEIN (15MG/ML IN 100MM SODIUM CHLORIDE, 0.02% SODIUM AZIDE) WAS CRYSTALLIZED FROM 30% SATURATED AMMONIUM SULFATE, 100MM SODIUM HEPES PH 7.0, IN PRESENCE OF A 2-FOLD EXCESS OF LIGAND |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | 100 (mM) | ||
| 3 | 1 | drop | 0.02 (%) | ||
| 4 | 1 | reservoir | ammonium sulfate | 30 (%) | pH7.0 |
