1M5F
X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH ACPA AT 1.95 A RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2001-08-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.850 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 113.744, 163.400, 47.084 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.950 |
| Rwork | 0.192 |
| R-free | 0.23000 |
| Structure solution method | Difference Fourier |
| Starting model (for MR) | 1M5E (S1S2J:ACPA molecule A). |
| RMSD bond length | 0.006 |
| RMSD bond angle | 21.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.0) |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.076 | 0.487 |
| Number of reflections | 64323 | |
| <I/σ(I)> | 11.9 | 2.3 |
| Completeness [%] | 99.4 | 98.1 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 4 * | PEG 8000, Zn(OAc)2, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | HEPES | 10 (mM) | pH7.0 |
| 3 | 1 | drop | 20 (mM) | ||
| 4 | 1 | drop | EDTA | 1 (mM) | |
| 5 | 1 | drop | (S)-ACPA | 3 (mM) | |
| 6 | 1 | reservoir | PEG8000 | 12-18 (%(w/v)) | |
| 7 | 1 | reservoir | zinc acetate | 0.15-0.28 (M) | |
| 8 | 1 | reservoir | sodium cacodylate | 0.1 (M) | pH6.5 |
