1G1S
P-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH PSGL-1 PEPTIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-01-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 0.99987 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 63.445, 96.756, 187.289 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.900 |
| R-factor | 0.204 |
| Rwork | 0.204 |
| R-free | 0.23500 |
| Structure solution method | MIR |
| Starting model (for MR) | P-selectin |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.540 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.058 | 0.274 |
| Total number of observations | 207998 * | |
| Number of reflections | 44923 | |
| <I/σ(I)> | 25.5 | 3.7 |
| Completeness [%] | 98.5 | 96.6 |
| Redundancy | 4.63 | 4.63 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7 | 291 | 100 mM HEPES, 10 mM TRIS, 150 mN NaCl, 4 mM CaCl2, 50 mM SrCl2, 5% PEG 6000, 33% MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP at 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | HEPES | 100 (mM) | |
| 3 | 1 | drop | Tris-HCl | 10 (mM) | |
| 4 | 1 | drop | 150 (mM) | ||
| 5 | 1 | drop | 4 (mM) | ||
| 6 | 1 | drop | 50 (mM) | ||
| 7 | 1 | drop | PEG6000 | 5 (%(w/v)) | |
| 8 | 1 | drop | MPD | 33 (%(v/v)) |
