1FEV

CRYSTAL STRUCTURE OF THE ALA4AIB MUTATION IN RNASE S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1996-08-26
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	44.580, 44.580, 97.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.250
R-factor	0.191
Rwork	0.191
R-free	0.22900
RMSD bond length	0.006
RMSD bond angle	1.600
Data reduction software	AUTOMAR
Data scaling software	XDS
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.250
High resolution limit [Å]	2.100	2.150
Rmerge	0.095	0.380
Number of reflections	52509
<I/σ(I)>	23.3
Completeness [%]	99.7	83.9
Redundancy	8.26	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.75	298	3M CsCl, 35% Ammonium Sulphate, 50 mM Sodium Acetate, pH=5.75 , VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4-12 (mg/ml)
2	1	drop		3 (M)
3	1	drop	acetate	0.1 (M)
4	1	drop	ammonium sulfate	35 (%)