1JBU
Coagulation Factor VII Zymogen (EGF2/Protease) in Complex with Inhibitory Exosite Peptide A-183
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-12-08 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.05 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.440, 84.510, 84.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 2.000 |
R-factor | 0.212 |
Rwork | 0.204 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dan |
RMSD bond length | 0.007 |
RMSD bond angle | 1.500 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (98.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.062 | 0.422 |
Total number of observations | 135991 * | |
Number of reflections | 33624 | 3318 * |
<I/σ(I)> | 9.7 | 3.4 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 4.044 | 3.77 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | HEPES, ammonium sulfate, glycerol, PEG 400, benzamidine, calcium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | HEPES | 100 (mM) | |
2 | 1 | drop | ammonium sulfate | 850 (mM) | |
3 | 1 | drop | glycerol | 7.5 (%) | |
4 | 1 | drop | PEG400 | 0.85 (%) | |
5 | 1 | drop | rF7 | 5 (mg/ml) | |
6 | 1 | drop | benzamidine | 5 (mM) | |
7 | 1 | drop | 5 (mM) | ||
8 | 1 | drop | A-183 | 0.3 (mg/ml) |