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 |