1XKB
FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-10-24 |
| Detector | RIGAKU |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.270, 105.220, 63.240 |
| Unit cell angles | 90.00, 103.40, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.400 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.29400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hcg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 28.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.8) |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.057 | 0.252 |
| Total number of observations | 78773 * | |
| Number of reflections | 26594 | |
| <I/σ(I)> | 17.7 | 4.1 |
| Completeness [%] | 91.2 | 58.4 |
| Redundancy | 2.7 | 1.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6 | pH 6.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Des[1-44] Factor Xa | 5 (mg/ml) | |
| 2 | 1 | drop | FX-2212 | 1 (mM) | |
| 3 | 1 | reservoir | PEG3350 | 10 (%) | |
| 4 | 1 | reservoir | MES | 50 (mM) | |
| 5 | 1 | reservoir | 100 (mM) | ||
| 6 | 1 | reservoir | 4 (mM) |
