1PQ4

Crystal structure of ZnuA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	298
Detector technology	CCD
Collection date	2003-03-01
Detector	BRUKER SMART 6000
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	64.990, 78.300, 68.400
Unit cell angles	90.00, 118.32, 90.00

Refinement procedure

Resolution	20.000 * - 1.900
R-factor	0.172
Rwork	0.172
R-free	0.20000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016 *
RMSD bond angle	1.820 *
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.900
High resolution limit [Å]	1.900 *	1.800
Rmerge	0.060 *	0.140 *
Number of reflections	43019
<I/σ(I)>	10.6
Completeness [%]	90.0	40
Redundancy	2.8	1.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	298	potassium phosphate, ammonium sulfate, pH 6.8, 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	reservoir	ammonium sulfate	1.5-2.5 (M)