1JTK
Crystal structure of cytidine deaminase from Bacillus subtilis in complex with the inhibitor tetrahydrodeoxyuridine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-02-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.086, 66.142, 55.476 |
| Unit cell angles | 90.00, 115.92, 90.00 |
Refinement procedure
| Resolution | 19.920 - 2.040 |
| R-factor | 0.207 * |
| Rwork | 0.207 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ctt |
| RMSD bond length | 0.005 |
| RMSD bond angle | 23.500 * |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.080 |
| High resolution limit [Å] | 2.030 * | 2.030 |
| Rmerge | 0.079 * | 0.195 * |
| Total number of observations | 214942 * | |
| Number of reflections | 15867 * | |
| <I/σ(I)> | 17.4 | 5.1 |
| Completeness [%] | 98.4 | 78.7 |
| Redundancy | 13.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 * | 295 | 26% 2-methyl-2,4-pentanediol, 10mM calcium chloride, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4.5 (mg/ml) | |
| 2 | 1 | drop | THU | 5 (mM) | |
| 3 | 1 | drop | Tris-HCl | 20 (mM) | pH7.6 |
| 4 | 1 | reservoir | MPD | 26 (%) | |
| 5 | 1 | reservoir | 10 (mM) | ||
| 6 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.6 |
