6KJ8

E. coli ATCase holoenzyme mutant - G166P (catalytic chain)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU R-AXIS IV
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-01-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 32 2 1
Unit cell lengths	126.592, 126.592, 196.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.869 - 3.011
R-factor	0.2126
Rwork	0.211
R-free	0.24740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1za1
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.050
High resolution limit [Å]	3.000	3.000
Number of reflections	37126	1823
<I/σ(I)>	16.1
Completeness [%]	100.0
Redundancy	8.8
CC(1/2)	0.996	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M HEPES pH 7.0, 30% Jeffamine M-600 pH 7.0, and 10% glycerol