1KTO

Thermolysin complexed with Z-D-Alanine (benzyloxycarbonyl-D-Alanine)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	293
Detector technology	CCD
Collection date	2001-02-23
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	P 61 2 2
Unit cell lengths	93.607, 93.607, 131.332
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.840 - 1.900
R-factor	0.1667
Rwork	0.166
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.839	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.106
Number of reflections	27057
<I/σ(I)>	6.7
Completeness [%]	98.7	92.5
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	DMSO, Calcium Acetate, Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K