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 (%) |