4LD4
Crystal structure of NE0047 in complex with cytosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-06-20 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.350, 73.850, 110.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.000 |
| Rwork | 0.194 |
| R-free | 0.26180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g84 |
| Data reduction software | iMOSFLM |
| Phasing software | CNS |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.180 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.170 | 0.323 |
| Number of reflections | 6717 | |
| <I/σ(I)> | 13.4 | 7.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.6 | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.225M MgCl2, 25% PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
