1NFX
CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208944
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-08-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.500, 72.330, 79.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.150 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ezq |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.270 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (98.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | |
| High resolution limit [Å] | 2.050 | |
| Rmerge | 0.050 | 0.135 * |
| Number of reflections | 18225 | |
| Completeness [%] | 86.8 | 67.3 * |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 * | 19 * | 18-20% PEG 600, 50MM MES-NAOH,1MM RPR208944, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | MES/NaOH | 5 (mM) | pH6.0 |
| 3 | 1 | drop | 5 (mM) | ||
| 4 | 1 | drop | compound 5 | 1000 (nM) | |
| 5 | 1 | reservoir | PEG600 | 18-20 (%) | |
| 6 | 1 | reservoir | MES/NaOH | 50 (mM) | pH5.7 |
