6ZTK

Crystal structure of Mialostatin, a gut cystatin from the hard tick Ixodes ricinus

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	2016-03-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 62 2 2
Unit cell lengths	81.106, 81.106, 162.330
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.900 - 1.550
R-factor	0.1722
Rwork	0.171
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l0r
RMSD bond length	0.015
RMSD bond angle	1.907
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.900	1.650
High resolution limit [Å]	1.550	1.550
Rmerge	0.084	1.203
Rmeas	0.087	1.232
Rpim	0.019	0.263
Number of reflections	46381	4528
<I/σ(I)>	21.95	2
Completeness [%]	99.9	99.25
Redundancy	21.22	21.55
CC(1/2)	1.000	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	291.15	1M ammonium sulphate 0.1M sodium citrate pH 4.0