4LD2
Crystal structure of NE0047 in complex with cytidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Detector technology | CCD |
| Collection date | 2013-02-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.210, 74.550, 110.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.530 - 1.550 |
| Rwork | 0.199 |
| R-free | 0.21810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g84 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.170 |
| Data reduction software | iMOSFLM |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.530 | 1.630 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.072 | 0.376 |
| Number of reflections | 46602 | |
| <I/σ(I)> | 13.6 | 4.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.225M MgCl2, 25% PEG 3350, 0.1M Bis-Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
