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