6SCU

THERMOLYSIN IN COMPLEX WITH FRAGMENT J88

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	2016-03-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 61 2 2
Unit cell lengths	92.307, 92.307, 129.622
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.150 - 1.420
R-factor	0.1333
Rwork	0.132
R-free	0.16200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.006
RMSD bond angle	0.882
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.510
High resolution limit [Å]	1.420	1.420
Number of reflections	61953	9812
<I/σ(I)>	18.9	4.4
Completeness [%]	100.0	99.9
Redundancy	8.3
CC(1/2)	0.999	0.945

Crystallization Conditions

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