4LCP
Crytsal structure of NE0047 in complex with 2,6-diaminopurine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ DW |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-02-14 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5417 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.212, 74.012, 110.322 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.950 - 2.000 |
| R-factor | 0.1694 |
| Rwork | 0.167 |
| R-free | 0.22260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g84 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.923 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.056 | 0.252 |
| Number of reflections | 21220 | |
| <I/σ(I)> | 22.4 | 25.2 |
| Completeness [%] | 96.8 | 94.6 |
| Redundancy | 5.2 | 5 |
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 |
