5OR2
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 | 2012-04-05 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.540, 66.077, 172.569 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.510 - 2.500 |
| R-factor | 0.22903 |
| Rwork | 0.225 |
| R-free | 0.29578 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qn1 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.820 |
| 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] | 27.510 | 2.650 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 17976 | |
| <I/σ(I)> | 7.57 | |
| Completeness [%] | 95.8 | |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% Peg 8000, 100 mM Tris pH 8.5, 160 mM MgCl2, 60 mM glycylglycylglycine |
