6SBK

THERMOLYSIN IN COMPLEX WITH FRAGMENT J13

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00
Spacegroup name	P 61 2 2
Unit cell lengths	92.561, 92.561, 129.273
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.280 - 1.480
R-factor	0.1514
Rwork	0.150
R-free	0.16920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.004
RMSD bond angle	0.750
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASES
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.280	1.570
High resolution limit [Å]	1.480	1.480
Number of reflections	54619	8612
<I/σ(I)>	20.24	3.99
Completeness [%]	99.2	98.3
Redundancy	6.5
CC(1/2)	0.999	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO, PH 7.5