2FLR
Novel 5-Azaindole Factor VIIa Inhibitors
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] | 130 |
Detector technology | CCD |
Collection date | 2003-08-07 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.310, 68.640, 77.890 |
Unit cell angles | 90.00, 91.15, 90.00 |
Refinement procedure
Resolution | 7.000 - 2.350 |
R-factor | 0.227 |
Rwork | 0.223 |
R-free | 0.25900 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.018 |
RMSD bond angle | 3.980 |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 2.460 |
High resolution limit [Å] | 2.350 | 2.350 |
Number of reflections | 32062 | |
Completeness [%] | 95.1 | 95.37 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 290 | 0.1 M CITRATE, 16-18% PEG5000 MME, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 290K |