1LYW

CATHEPSIN D AT PH 7.5

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	190
Detector technology	IMAGE PLATE
Collection date	1997-07
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	140.256, 136.797, 140.416
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.500
R-factor	0.195
Rwork	0.195
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lya
RMSD bond length	0.009
RMSD bond angle	26.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.108	0.318
Total number of observations	197513 *
Number of reflections	68982 *
<I/σ(I)>	6.95	2
Completeness [%]	73.0	41
Redundancy	3.2	1.37

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	22 *	pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG400	2 (%(v/v))
3	1	reservoir	ammonium sulfate	2.0 (M)
4	1	reservoir	sodium HEPES	100 (mM)