1KH0
Accurate Computer Base Design of a New Backbone Conformation in the Second Turn of Protein L
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-10-22 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.622, 55.542, 67.382 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.090 - 1.900 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hz6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.960 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.049 | 0.270 |
| Number of reflections | 11610 | |
| <I/σ(I)> | 36.4 | 6.9 |
| Completeness [%] | 96.9 | 95.1 |
| Redundancy | 6.9 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 1M Sodium Citrate, 100mM Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 100 (mM) | ||
| 2 | 1 | drop | EDTA | 2 (mM) | |
| 3 | 1 | drop | protein | 25 (mg/ml) | |
| 4 | 1 | reservoir | sodium citrate | 1.0 (M) | |
| 5 | 1 | reservoir | cacodylate | 100 (mM) | pH6.5 |
