7AC9

Thrombin in complex with D-arginine (j77)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.91840
Spacegroup name	C 1 2 1
Unit cell lengths	70.469, 71.370, 72.598
Unit cell angles	90.00, 100.47, 90.00

Refinement procedure

Resolution	43.540 - 1.393
R-factor	0.1414
Rwork	0.140
R-free	0.16320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zgb
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2-3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.540	1.480
High resolution limit [Å]	1.390	1.390
Number of reflections	69732	11078
<I/σ(I)>	11.28
Completeness [%]	98.9
Redundancy	3	2.9
CC(1/2)	1.000	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	20mM sodium dihydrogen phosphate pH 7.5 350mM NaCl 27% PEG 8000