2VVC
Aminopyrrolidine Factor Xa inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-12-10 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.960, 77.190, 74.760 |
Unit cell angles | 90.00, 92.12, 90.00 |
Refinement procedure
Resolution | 74.740 - 1.950 |
R-factor | 0.203 |
Rwork | 0.199 |
R-free | 0.27500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bok |
RMSD bond length | 0.012 |
RMSD bond angle | 1.487 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.120 | 0.380 |
Number of reflections | 36457 | |
<I/σ(I)> | 7.84 | 3.03 |
Completeness [%] | 90.3 | 95.9 |
Redundancy | 3.66 | 3.54 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |