1L3F

Thermolysin in the Absence of Substrate has an Open Conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	.9778
Spacegroup name	P 41 21 2
Unit cell lengths	97.052, 97.052, 106.583
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.300
Rwork	0.202
R-free	0.30200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB MODEL 8TLN
RMSD bond length	0.016
RMSD bond angle	3.200
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.096 *	0.540 *
Total number of observations	205247 *
Number of reflections	22538 *
<I/σ(I)>	4.4	1.4
Completeness [%]	96.7	79.2
Redundancy	9.1	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	MES, dimethylsulfoxide, NaCl, Zn Acetate, pH 6.00, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		0.7-0.9 (M)
2	1	drop	zinc acetate	0.4 (M)
3	1	reservoir	ammonium sulfate	30 (%)