4Y71
Factor Xa complex with GTC000398
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-10-04 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.939 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.759, 72.845, 78.649 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.920 - 1.800 |
| R-factor | 0.1991 |
| Rwork | 0.197 |
| R-free | 0.24040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ezq |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.415 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
| Rmerge | 0.100 | 0.087 | 0.439 |
| Total number of observations | 118610 | ||
| Number of reflections | 30525 | ||
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 99.3 | 98.8 | 94.5 |
| Redundancy | 3.95 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16 - 20 % PEG 6000, 50 mM MES-NaOH (pH 5.7-6.0), 5 mM calcium chloride, 50 mM sodium chloride |
