1PBQ
CRYSTAL STRUCTURE OF THE NR1 LIGAND BINDING CORE IN COMPLEX WITH 5,7-DICHLOROKYNURENIC ACID (DCKA) AT 1.90 ANGSTROMS RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2002-04-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.92020 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.700, 65.300, 124.300 |
| Unit cell angles | 90.00, 98.10, 90.00 |
Refinement procedure
| Resolution | 9.990 - 1.900 |
| R-factor | 0.231 |
| Rwork | 0.231 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 47403 | |
| Completeness [%] | 88.0 | 47.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | PEG2000, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
