2EI6
FACTOR XA IN COMPLEX WITH THE INHIBITOR (-)-cis-N1-[(5-Chloroindol-2-yl)carbonyl]-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1999-12-01 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.542 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.805, 72.971, 79.552 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.300 |
R-factor | 0.20006 |
Rwork | 0.197 |
R-free | 0.26204 |
Structure solution method | RIGID BODY REFINEMENT |
Starting model (for MR) | 1fax |
RMSD bond length | 0.018 |
RMSD bond angle | 1.853 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | REFMAC (5.2.0019) |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.160 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.067 | 0.325 |
Number of reflections | 15017 | |
<I/σ(I)> | 12.6 | 3.58 |
Completeness [%] | 98.5 | 96.9 |
Redundancy | 3.55 | 3.58 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | vapor diffusion, hanging drop, seeding | 5 | 293 | pH 5.00, vapor diffusion, hanging drop, seeding, temperature 293K |