5OR6
Crystal structures of PYR1/HAB1 in complex with synthetic analogues of Abscisic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION NOVA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-03 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.182, 65.663, 171.147 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.22227 |
| Rwork | 0.219 |
| R-free | 0.29025 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qn1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.910 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.550 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 20069 | |
| <I/σ(I)> | 10.53 | |
| Completeness [%] | 97.0 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 278 | 20% Peg 8000, 100 mM Tris pH 8.5, 160 mM MgCl2, 60 mM glycylglycylglycine |
