4LCN
Crytsal structure of NE0047 in complex with 2'-DEOXY-GUANOSINE
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 | 38.020, 73.310, 109.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.760 - 1.800 |
| R-factor | 0.16871 |
| Rwork | 0.167 |
| R-free | 0.20652 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g84 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.015 |
| Data reduction software | iMOSFLM |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.920 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.067 | 0.295 |
| Number of reflections | 23864 | |
| <I/σ(I)> | 10.7 | 4 |
| Completeness [%] | 81.9 | 79.3 |
| Redundancy | 3.7 | 3.6 |
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 5.5), VAPOR DIFFUSION, HANGING DROP, temperature 291K |
