1KHQ

ORTHORHOMBIC FORM OF PAPAIN/ZLFG-DAM COVALENT COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	289
Detector technology	IMAGE PLATE
Collection date	1999-04-22
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	42.890, 96.740, 49.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.600
R-factor	0.149
Rwork	0.147
R-free	0.16900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ppn
RMSD bond length	0.014
RMSD bond angle	0.024
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.670
High resolution limit [Å]	1.600	1.630 *
Rmerge	0.059	0.290
Total number of observations	211148 *
Number of reflections	26000
<I/σ(I)>	14.7	3.8
Completeness [%]	94.5	89.6
Redundancy	8.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.2	292	72% methanol/ethanol (2:1), 34 mM NaCl, 50 mM 2-aminoethanol/HCl, pH 9.2, VAPOR DIFFUSION, HANGING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		34 (mM)
2	1	reservoir	2-aminoethanol-HCl	50 (mM)	pH9.2
3	1	drop	protein	30 (mg/ml)