1Y1M
Crystal structure of the NR1 ligand binding core in complex with cycloleucine
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 | 2003-10-31 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9796 |
Spacegroup name | P 1 |
Unit cell lengths | 53.156, 53.203, 67.546 |
Unit cell angles | 110.12, 91.55, 108.69 |
Refinement procedure
Resolution | 15.000 - 1.800 |
R-factor | 0.191 |
Rwork | 0.187 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.185 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.770 | 1.860 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.059 | 0.250 |
Number of reflections | 59649 | |
<I/σ(I)> | 3.8 | 3.69 |
Completeness [%] | 95.2 | 95.2 |
Redundancy | 3.6 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | PEG, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |