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 |