1AB5

STRUCTURE OF CHEY MUTANT F14N, V21T

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1996-02
Detector	MARRESEARCH
Spacegroup name	P 31
Unit cell lengths	54.310, 54.310, 91.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.400
R-factor	0.184
Rwork	0.184
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3chy
RMSD bond length	0.009
RMSD bond angle	23.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.600
High resolution limit [Å]	2.400	2.400
Rmerge	0.089	0.350
Total number of observations	82839 *
Number of reflections	10044
<I/σ(I)>	15.75
Completeness [%]	92.0	67
Redundancy	6.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.2	293 *	PROTEIN WAS CRYSTALLIZED FROM AMMONIUM SULFATE, 2.6-3.0M IN TRIS-HCL BUFFER AT PH 7.2.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.6-3.0 (M)
2	1	reservoir	Tris-HCl
3	1	drop	protein	0.7 (mg/ml)
4	1	drop	ammonium sulfate	1.7-2.0 (M)
5	1	drop	Tris-HCl