5LVD

Thermolysin in complex with inhibitor (JC67)

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	2013-12-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 61 2 2
Unit cell lengths	92.846, 92.846, 130.426
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.243 - 1.250
R-factor	0.106
Rwork	0.105
R-free	0.12480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8tln
RMSD bond length	0.009
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.320
High resolution limit [Å]	1.250	1.250
Rmerge		0.495
Number of reflections	91830
<I/σ(I)>	35.16
Completeness [%]	99.9	99.3
Redundancy	24.86	24.72

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 DOUBLE CRYSTAL MONOCHROMATOR