1HZG
CRYSTAL STRUCTURE OF THE INACTIVE C866S MUTANT OF THE CATALYTIC DOMAIN OF E. COLI CYTOTOXIC NECROTIZING FACTOR 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-5 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-08-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54180 |
| Spacegroup name | P 65 |
| Unit cell lengths | 54.900, 54.900, 176.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 1.860 |
| R-factor | 0.198 * |
| Rwork | 0.198 |
| R-free | 0.22000 |
| Structure solution method | Difference Fourier |
| Starting model (for MR) | 1hq0 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.910 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.079 | 0.752 |
| Number of reflections | 25142 | |
| <I/σ(I)> | 33.8 | 3.5 |
| Completeness [%] | 99.9 | 98.1 |
| Redundancy | 10 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 * | 37 * | sodium phosphate, potassium phosphate, 1,4-butandiol, HEPES, DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium phosphate | 0.65 (M) | |
| 2 | 1 | reservoir | potassium phosphate | 0.65 (M) | |
| 3 | 1 | reservoir | HEPES | 100 (mM) | |
| 4 | 1 | reservoir | 1,4-butanediol | 5 (%(v/v)) | |
| 5 | 1 | reservoir | dithiothreitol | 2 (mM) | |
| 6 | 1 | drop | 150 (mM) | ||
| 7 | 1 | drop | Tris | 20 (mM) | |
| 8 | 1 | drop | dithiothreitol | 2 (mM) | |
| 9 | 1 | drop | protein | 15 (mg/ml) |
