8BBU

Crystal structure of medical leech destabilase (high salt)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97242
Spacegroup name	P 1
Unit cell lengths	27.440, 36.170, 61.390
Unit cell angles	106.81, 92.58, 95.49

Refinement procedure

Resolution	34.430 - 1.100
R-factor	0.1255
Rwork	0.125
R-free	0.15540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dqa
RMSD bond length	0.008
RMSD bond angle	1.167
Data reduction software	XDS (20161205)
Data scaling software	XSCALE (20191015)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.430	34.430	1.130
High resolution limit [Å]	1.100	4.920	1.100
Rmeas	0.079	0.038	0.719
Number of reflections	82406	1012	5673
<I/σ(I)>	9.22	35.05	1.65
Completeness [%]	90.5	99.2	84.7
Redundancy	3.6	3.9	3.6
CC(1/2)	0.998	0.998	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	2.9 M sodium malonate, 6.4 mM NNN-triacetylchitotriose