3IVE
Putative 5'-Nucleotidase (c4898) from Escherichia Coli in complex with Cytidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.261, 77.453, 47.518 |
| Unit cell angles | 90.00, 103.83, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.167 |
| Rwork | 0.165 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ivd |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.324 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.102 | 0.062 | 0.442 |
| Number of reflections | 57862 | ||
| <I/σ(I)> | 7.4 | ||
| Completeness [%] | 95.8 | 98 | 77.1 |
| Redundancy | 3.8 | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 25% PEG 3350, 0.2M LiSo4, 0.1M Bis-Tris pH 5.5, Vapor diffusion, Sitting drop, temperature 298K |
