1PB8
CRYSTAL STRUCTURE OF THE NR1 LIGAND BINDING CORE IN COMPLEX WITH D-SERINE AT 1.45 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 | 2002-08-09 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97950 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.460, 73.060, 96.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 * - 1.450 |
R-factor | 0.2041 |
Rwork | 0.204 |
R-free | 0.22600 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.005 |
RMSD bond angle | 1.170 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.066 * | 0.172 * |
Total number of observations | 414093 * | |
Number of reflections | 51309 | |
Completeness [%] | 97.0 | 85.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 4 * | PEG 1000, sodium cacodylate, lithium sulfate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | sodium cacodylate | 100 (mM) | pH6.0 |
2 | 1 | reservoir | 100 (mM) | ||
3 | 1 | reservoir | PEG1000 | 20 (%) |