1MQ9
Crystal structure of high affinity alphaL I domain with ligand mimetic crystal contact
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-10-10 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.0700 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 35.546, 35.546, 269.626 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 2.000 |
| R-factor | 0.212 |
| Rwork | 0.212 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mjn |
| RMSD bond length | 0.006 |
| RMSD bond angle | 23.900 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.094 | 0.381 |
| Total number of observations | 57584 * | |
| Number of reflections | 10569 | |
| <I/σ(I)> | 12.6 | 3.5 |
| Completeness [%] | 82.1 * | 67.5 |
| Redundancy | 5.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 20% PEG 2000 MME, 25 mM MnCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP at 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10-20 (mg/ml) | |
| 2 | 1 | reservoir | PEG2000 MME | 20 (%) | |
| 3 | 1 | reservoir | 0.025 (M) | ||
| 4 | 1 | reservoir | HEPES-Na | 0.1 (M) | pH7.0 |
