4EKN

Structure of the catalytic chain of Methanococcus jannaschii Aspartate Transcarbamoylase in a hexagonal crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-18
Detector	ADSC QUANTUM 210
Wavelength(s)	1.1
Spacegroup name	P 63 2 2
Unit cell lengths	96.960, 96.960, 136.439
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.985 - 2.500
R-factor	0.1922
Rwork	0.183
R-free	0.27010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	of 2RGW chain D
RMSD bond length	0.005
RMSD bond angle	0.652
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.135	0.825
Number of reflections	13471
<I/σ(I)>	9.3	1.62
Completeness [%]	98.0	99.2
Redundancy	3.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	2.0 M ammonium sulfate, 0.2 M potassium sodium tartrate tetrahydrate, and 0.1 M Tris-HCl pH 7.5. The protein was a mixture of catalytic and regulatory subunits at a molar ratio of 1:1 concentrated to 11 mg/ml. Drops consisted of 2ul reservoir and 2.6 ul complex solution., VAPOR DIFFUSION, SITTING DROP, temperature 295K