8EPH
Crystal structure of human coagulation factor IXa (S195A), apo-form, DES-GLA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 90.247, 90.247, 156.347 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.160 - 1.880 |
R-factor | 0.1855 |
Rwork | 0.184 |
R-free | 0.21120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jb9 5vyg |
RMSD bond length | 0.009 |
RMSD bond angle | 1.392 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 78.160 | 78.160 | 1.920 |
High resolution limit [Å] | 1.880 | 9.010 | 1.880 |
Rmerge | 0.095 | 0.049 | 0.678 |
Rmeas | 0.104 | 0.055 | 0.740 |
Rpim | 0.042 | 0.024 | 0.292 |
Number of reflections | 52703 | 546 | 3318 |
<I/σ(I)> | 11.1 | ||
Completeness [%] | 99.3 | 95.7 | 99 |
Redundancy | 6 | 5.4 | 6.2 |
CC(1/2) | 0.997 | 0.995 | 0.854 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
dg9lite_soak1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Na Citrate pH 5.0; 30% Jeffamine ED-2001 pH 7.0 |