1XX9
Crystal Structure of the FXIa Catalytic Domain in Complex with EcotinM84R
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 2001-08-09 |
Detector | CUSTOM-MADE |
Wavelength(s) | 1.100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.615, 92.669, 186.921 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.630 - 2.200 |
Rwork | 0.235 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fi8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNX (2002) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.386 | |
Number of reflections | 36197 | |
<I/σ(I)> | 12.3 | 2 |
Completeness [%] | 90.2 | 69.1 |
Redundancy | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | PEG 1000, NaCl, Na/K phosphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |