3ELB
Human CTP: Phosphoethanolamine Cytidylyltransferase in complex with CMP
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97981, 0.97969, 0.97201 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 74.179, 74.179, 139.723 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.740 - 2.000 |
| R-factor | 0.19805 |
| Rwork | 0.196 |
| R-free | 0.24195 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.312 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.5.0035) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.097 | 0.484 |
| Number of reflections | 26706 | |
| <I/σ(I)> | 16 | 3.8 |
| Completeness [%] | 98.6 | 99.8 |
| Redundancy | 10.3 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% PEG 3350, 0.2M Mg-Formate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
