3EB0
Crystal Structure of cgd4_240 from cryptosporidium Parvum in complex with indirubin E804
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.96749 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 134.101, 138.366, 43.261 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.650 |
| R-factor | 0.24 |
| Rwork | 0.238 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o9u |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.396 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.740 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.189 | 0.801 |
| Number of reflections | 24543 | |
| <I/σ(I)> | 13.083 | 1.77 |
| Completeness [%] | 99.4 | 95.7 |
| Redundancy | 6.7 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 10% Isopropanol 20% PEG 4000 0.1 M NaHepes 7.5 4 mM indirubin E804 20% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
