5WR2

Thermolysin, SFX liganded form with oil-based carrier

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	300
Detector technology	CCD
Collection date	2015-05-19
Detector	MPCCD
Wavelength(s)	1.77
Spacegroup name	P 61 2 2
Unit cell lengths	93.550, 93.550, 131.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.800 - 2.000
R-factor	0.134
Rwork	0.132
R-free	0.16900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ow3
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.800	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	23565
<I/σ(I)>	7.1	1.5
Completeness [%]	100.0	100
Redundancy	551.8	83.4
CC(1/2)	0.981	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.5	277	PEG2000MME, MES, CaCl2