8EPC
Crystal structure of human coagulation factor IXa (S195A), apo-form
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 31 2 1 |
| Unit cell lengths | 67.975, 67.975, 109.820 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 58.870 - 2.510 |
| R-factor | 0.2337 |
| Rwork | 0.231 |
| R-free | 0.28070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jb9 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.968 |
| 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] | 58.870 | 58.870 | 2.610 |
| High resolution limit [Å] | 2.510 | 9.050 | 2.510 |
| Rmerge | 0.047 | 0.026 | 0.861 |
| Rmeas | 0.054 | 0.030 | 0.988 |
| Rpim | 0.026 | 0.015 | 0.470 |
| Total number of observations | 967 | 4773 | |
| Number of reflections | 10405 | 268 | 1140 |
| <I/σ(I)> | 17.2 | 44.7 | 1.6 |
| Completeness [%] | 99.1 | 97.3 | 98 |
| Redundancy | 4.3 | 3.6 | 4.2 |
| CC(1/2) | 0.999 | 0.999 | 0.618 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| de9soakapt_a5_1 | VAPOR DIFFUSION, SITTING DROP | 298 | 40% Glycerol Ethoxylate |
