1JHC

LEXA S119A C-TERMINAL TRYPTIC FRAGMENT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-10-20
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	49.880, 49.880, 103.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.000
R-factor	0.23 *
Rwork	0.230
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1umu
RMSD bond length	0.079
RMSD bond angle	1.510
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.040
High resolution limit [Å]	2.000	2.000
Rmerge	0.072	0.341
Total number of observations	90223 *
Number of reflections	9882 *	520 *
<I/σ(I)>	32.5	6.8
Completeness [%]	99.9	100
Redundancy	9.1	8.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5 *	293	1.8M potassium phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	potassium phosphate	1.6 (M)
2	1	reservoir	Tris-HCl	0.3 (M)