3MES
Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-03-27 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 170.091, 67.957, 92.109 |
| Unit cell angles | 90.00, 116.54, 90.00 |
Refinement procedure
| Resolution | 19.720 - 2.350 |
| R-factor | 0.24733 |
| Rwork | 0.245 |
| R-free | 0.29108 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fi8 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.659 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.450 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Number of reflections | 39277 | |
| <I/σ(I)> | 7.68 | 2.14 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 3.68 | 3.65 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 18.5% P3350, 0.2 M KNa-Tartrate, 2 mM Decamethonium bromide, 2 mM TCEP, 2 mM ADP and 4 mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
