6QF2

X-Ray structure of Thermolysin crystallized on a silicon chip

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 61 2 2
Unit cell lengths	92.667, 92.667, 128.311
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.334 - 1.733
R-factor	0.1297
Rwork	0.128
R-free	0.16110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2tlx
RMSD bond length	0.006
RMSD bond angle	0.841
Data reduction software	XDS
Data scaling software	Aimless (0.5.8)
Phasing software	PHASER
Refinement software	PHENIX (1.10.1-2155_9999)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.334	1.770
High resolution limit [Å]	1.733	1.733
Rmerge	0.168	0.976
Rmeas	0.175	1.013
Rpim	0.048	0.266
Number of reflections	34527	1852
<I/σ(I)>	11.4	3.1
Completeness [%]	100.0	100
Redundancy	13.2	13.6
CC(1/2)	0.995	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.1M MES-NaOH pH 6.5, 10mM calcium chloride, 25% PEG 2000