1HD3
A-SPECTRIN SH3 DOMAIN F52Y MUTANT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 100 |
| Collection date | 1999-08-15 |
| Detector | MARRESEARCH IMAGING PLATE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.970, 42.370, 49.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.980 |
| R-factor | 0.245 |
| Rwork | 0.245 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1shg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 27.443 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 2.070 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.090 * | 0.090 |
| Number of reflections | 3987 | |
| Completeness [%] | 87.4 | 75 |
| Redundancy | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 3.5 * | Musacchio, A., (1992) Nature, 359, 851. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3 (mg/ml) | |
| 2 | 1 | drop | citric acid | 10 (mM) | |
| 3 | 1 | reservoir | sodium citrate | 90 (mM) | |
| 4 | 1 | reservoir | bis-Tris propane | 90 (mM) | |
| 5 | 1 | reservoir | dithiothreitol | 0.9 (mM) | |
| 6 | 1 | reservoir | EDTA | 0.9 (mM) | |
| 7 | 1 | reservoir | 0.9 (mM) | ||
| 8 | 1 | reservoir | ammonium sulfate | 25-30 (%sat) |
