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) |
