1EZZ

CRYSTAL STRUCTURE OF E. COLI ASPARTATE TRANSCARBAMOYLASE P268A MUTANT IN THE T-STATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1998-06-19
Detector	UCSD MARK III
Spacegroup name	H 3
Unit cell lengths	129.870, 129.870, 198.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.700
R-factor	0.182 *
Rwork	0.182
R-free	0.24200
RMSD bond length	0.012
RMSD bond angle	25.600 *
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.910
High resolution limit [Å]	2.700	2.700
Rmerge	0.073	0.427
Number of reflections	34422
<I/σ(I)>	4.296
Completeness [%]	99.9	99.8
Redundancy	3.2	2.17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	20 *	ENZYME: 24 mg/ml; 1:1 enzyme to-buffer ratio, BUFFER: 20 mm HEPES, 14% (w/v) PEG 1450, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	24 (mg/ml)
2	1	reservoir	PEG1450	14 (%(w/v))
3	1	reservoir	HEPES	20 (mM)