3E56
The 2.0 Angstrom Resolution Crystal Structure of NpR1517, a Putative Heterocyst Differentiation Inhibitor from Nostoc punctiforme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-15 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 56.336, 56.336, 56.491 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.900 - 2.010 |
| R-factor | 0.19007 |
| Rwork | 0.188 |
| R-free | 0.23683 |
| Structure solution method | sulfur anomalous scattering |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.596 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.900 | 2.050 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Number of reflections | 6345 | |
| <I/σ(I)> | 76.22 | 9.15 |
| Completeness [%] | 95.9 | 95.9 |
| Redundancy | 105.86 | 19.53 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | .02M HEPES, 20% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
