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 |