3LPC

Crystal structure of a subtilisin-like protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-08-16
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.542
Spacegroup name	P 1
Unit cell lengths	42.675, 45.821, 45.746
Unit cell angles	98.40, 113.98, 114.61

Refinement procedure

Resolution	20.380 - 1.700
R-factor	0.137
Rwork	0.135
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dbi
RMSD bond length	0.011
RMSD bond angle	1.255
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.21)
Phasing software	PHASER (1.3.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.669	20.380	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.048	0.030	0.223
Total number of observations		3766	15918
Number of reflections	26960
<I/σ(I)>	22.6	21	3.4
Completeness [%]	92.0	96.2	88
Redundancy	4.2	4.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Sodium Acetate, Sodium Cacodylate, PEG 8000, pH 6.5, vapor diffusion, hanging drop, temperature 293K