4ZHA
Factor Xa complex with GTC000102
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2004-11-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.516, 72.232, 79.414 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.860 |
| R-factor | 0.1974 |
| Rwork | 0.195 |
| R-free | 0.23820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ezq |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.424 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.421 | 46.029 | 1.960 |
| High resolution limit [Å] | 1.860 | 5.880 | 1.860 |
| Rmerge | 0.075 | 0.045 | 0.423 |
| Total number of observations | 143880 | 4463 | 19777 |
| Number of reflections | 27936 | ||
| <I/σ(I)> | 15.6 | 36.8 | 3.4 |
| Completeness [%] | 99.8 | 98.8 | 99.5 |
| Redundancy | 5.2 | 4.5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16-20% PEG 6K, 50 mM Mes-NaOH (pH 5.7-6.0), 5 mM CaCl2, and 50 mM NaCl |
