8BBW

Crystal structure of medical leech destabilase (low salt)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.07228
Spacegroup name	P 1 21 1
Unit cell lengths	26.390, 35.870, 54.470
Unit cell angles	90.00, 92.27, 90.00

Refinement procedure

Resolution	29.950 - 1.400
R-factor	0.1563
Rwork	0.154
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dqa
RMSD bond length	0.014
RMSD bond angle	1.403
Data reduction software	XDS (20161205)
Data scaling software	XSCALE (20191015)
Phasing software	PHASER (2.8.4)
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.950	29.950	1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmeas	0.121	0.049	1.635
Number of reflections	19404	242	1396
<I/σ(I)>	9.8	29.95	1.3
Completeness [%]	95.8	98.4	93.4
Redundancy	6.7	6.8	6.4
CC(1/2)	0.998	0.997	0.513

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.01 M Tris-HCl, 0.3 M NaCl, 27.5% w/v PEG 4000, 72 mM gamma-Glu-epsilon-Lys dipeptide