1BA1

HEAT-SHOCK COGNATE 70KD PROTEIN 44KD ATPASE N-TERMINAL MUTANT WITH CYS 17 REPLACED BY LYS

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1995-10
Detector	RIGAKU RAXIS
Spacegroup name	P 21 21 21
Unit cell lengths	143.800, 64.100, 46.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.700
R-factor	0.202
Rwork	0.202
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hpm
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.970
High resolution limit [Å]	1.700 *	1.900
Rmerge	0.051 *	1.000
Total number of observations	138386 *
Number of reflections	45230 *
<I/σ(I)>	16	12
Completeness [%]	94.7 *	69.7
Redundancy	3.2	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	4 *	used to seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ethylene glycol	5 (%)
2	1	reservoir	PEG8000	20 (%)
3	1	reservoir		1.0 (M)
4	1	reservoir	CHES	40 (mM)