1KLI
Cofactor-and substrate-assisted activation of factor VIIa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM1A |
| Synchrotron site | ESRF |
| Beamline | BM1A |
| Temperature [K] | 170 |
| Detector technology | CCD |
| Collection date | 2000-01-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 94.443, 94.443, 114.315 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.690 |
| R-factor | 0.2094 |
| Rwork | 0.209 |
| R-free | 0.22450 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.260 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.750 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.057 | 0.652 * |
| Total number of observations | 556747 * | |
| Number of reflections | 59659 | |
| Completeness [%] | 98.3 | 87.6 |
| Redundancy | 9.33 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 4 * | Ammonium sulphate, glycerol, PEG 400, BICINE, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 275K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | benzamidine | 5 (mM) | |
| 3 | 1 | reservoir | Bicine | 0.1 (M) | pH8.5 |
| 4 | 1 | reservoir | ammonium sulfate | 2 (M) | |
| 5 | 1 | reservoir | glycerol | 15 (%) | |
| 6 | 1 | reservoir | PEG400 | 2 (%) |
