1ETK

THE CRYSTAL STRUCTURE OF E. COLI FIS MUTANT Q68A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1999-12-16
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 21
Unit cell lengths	77.580, 50.320, 47.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.300 - 2.100
Rwork	0.232
R-free	0.27400
Starting model (for MR)	THE WILD-TYPE FIS
RMSD bond length	0.007
RMSD bond angle	17.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.114 *	0.482 *
Total number of observations	16785 *
Number of reflections	11485
<I/σ(I)>	14
Completeness [%]	99.5	99.3
Redundancy	4.07	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2 *	298	10 mg/ml protein, 0.5M sodium chloride, 0.1M sodium acetate, 0.05M sodium cacodylate(pH 6.5), 15% PEG6000, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop		1 (M)
3	1	drop	Tris-HCl	20 (mM)
4	1	reservoir	sodium acetate	0.2 (M)
5	1	reservoir	sodium cacodylate	0.1 (M)
6	1	reservoir	PEG6000	30 (%(w/v))