1ETQ

THE CRYSTAL STRUCTURE OF E. COLI FIS MUTANT R71Y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1999-06-28
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 21
Unit cell lengths	50.210, 57.970, 135.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.780 - 2.800
Rwork	0.216
R-free	0.27700
Starting model (for MR)	The wild-type FIS
RMSD bond length	0.008
RMSD bond angle	18.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.103 *	0.510 *
Total number of observations	61806 *
Number of reflections	10232
<I/σ(I)>	20.3
Completeness [%]	99.5	99.8
Redundancy	6	3.97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	10 mg/ml protein, 0.5 M sodium chloride, 0.05 M Na-Hepes(pH7.5), 12.5% PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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	Na-HEPES	0.1 (M)
5	1	reservoir	PEG8000	25 (%)