1LIJ
STRUCTURE OF T. GONDII ADENOSINE KINASE BOUND TO PRODRUG 2 7-IODOTUBERCIDIN AND AMP-PCP
Replaces: 1DH1Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-03-30 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 167.700, 46.970, 44.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.840 * |
| R-factor | 0.181 * |
| Rwork | 0.185 |
| R-free | 0.23900 |
| RMSD bond length | 0.013 * |
| RMSD bond angle | 1.990 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | EPMR |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.900 |
| High resolution limit [Å] | 1.840 * | 1.700 |
| Rmerge | 0.087 | 0.350 * |
| Total number of observations | 124975 * | |
| Number of reflections | 32045 * | |
| <I/σ(I)> | 5 | |
| Completeness [%] | 97.0 * | 97 * |
| Redundancy | 3.5 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | pH 6.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | adenosine | 5 (mM) | |
| 3 | 1 | reservoir | 1.1 (M) | ||
| 4 | 1 | reservoir | 10 (mM) | ||
| 5 | 1 | reservoir | sodium cacodylate | 50 (mM) | pH6.5 |
