4K30

Structure of the N-acetyltransferase domain of human N-acetylglutamate synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Detector technology	CCD
Collection date	2013-03-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	116.141, 116.141, 109.742
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.458 - 2.103
R-factor	0.1873
Rwork	0.185
R-free	0.24430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s6h
RMSD bond length	0.008
RMSD bond angle	1.103
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.093	0.043	0.901
Number of reflections	44139
<I/σ(I)>	12.3
Completeness [%]	100.0	99.3	99.8
Redundancy	13.6	12.6	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	100 mM Bis-tris, pH 6.5, 35% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K