5MHM

FXIIIa in complex with the inhibitor ZED1630

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	CCD
Collection date	2012-11-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	P 1
Unit cell lengths	56.912, 80.715, 103.190
Unit cell angles	88.44, 76.60, 81.79

Refinement procedure

Resolution	24.880 - 2.120
R-factor	0.172
Rwork	0.170
R-free	0.21300
RMSD bond length	0.009
RMSD bond angle	1.043
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.170
High resolution limit [Å]	2.120	2.120
Rmerge		0.040
Number of reflections	97508
<I/σ(I)>	10.5	2
Completeness [%]	97.1	94.1
Redundancy	2.2	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	170 mM ammonium sulfate, 85 mM sodium cacodylate, 25.5 % PEG8000, 15 % glycerol