1R9Q

structure analysis of ProX in complex with proline betaine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	2000-01-21
Detector	MARRESEARCH
Wavelength(s)	1.54179
Spacegroup name	P 21 21 21
Unit cell lengths	47.710, 54.980, 115.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 * - 2.050
Rwork	0.172
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r9l
RMSD bond length	0.010 *
RMSD bond angle	1.239 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.250
High resolution limit [Å]	2.050	2.050
Rmerge	0.060 *	0.239 *
Total number of observations	75377 *
Number of reflections	19587
Completeness [%]	99.0	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.3 *	18 *	PEG 4000, PIPES, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris	10 (mM)	pH8.3
3	1	reservoir	PEG4000	26-28 (%(w/v))
4	1	reservoir	PIPES	50 (mM)	pH6.2-6.4