4IBL
Rubidium Sites in Blood Coagulation Factor VIIa
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 | 2004-04-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.8153 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.900, 81.060, 126.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.240 - 1.800 |
| R-factor | 0.17943 |
| Rwork | 0.175 |
| R-free | 0.21455 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a2q |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.972 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.240 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.075 | 0.560 |
| <I/σ(I)> | 16.6 | 2.9 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 5.1 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20 mM Tris-HCL, 200mM RbCl, 5 mM Calcium Chloride, 45 mM Magnesium Chloride , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
