4Y7B
Factor Xa complex with GTC000441
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-03-28 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.742, 72.635, 79.862 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.790 |
R-factor | 0.1758 |
Rwork | 0.174 |
R-free | 0.21240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ezq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.312 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.560 | 1.870 |
High resolution limit [Å] | 1.790 | 1.800 |
Rmerge | 0.072 | 0.514 |
Number of reflections | 29751 | |
<I/σ(I)> | 12.4 | |
Completeness [%] | 99.0 | |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.75 | 293 | 18% PEG 6000, 100 mM MES PH 5.75, 10 mM calcium chloride |