3NVA

Dimeric form of CTP synthase from Sulfolobus solfataricus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-05
Detector	MAR CCD 165 mm
Wavelength(s)	1.04
Spacegroup name	P 1
Unit cell lengths	43.450, 76.780, 98.870
Unit cell angles	100.99, 95.36, 108.42

Refinement procedure

Resolution	27.392 - 2.504
R-factor	0.2105
Rwork	0.207
R-free	0.28220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vcn
RMSD bond length	0.009
RMSD bond angle	1.182
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.392	20.000	2.600
High resolution limit [Å]	2.500	10.000	2.500
Rmerge	0.047	0.028	0.285
Rmeas		0.034	0.330
Number of reflections	39001	514	3930
<I/σ(I)>	19.93	39.3	4.7
Completeness [%]	95.9	80.6	86.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	300	6% PEG 8000, 0.1M magnesium acetate, 0.1M sodium acetate buffer pH 4.5 , VAPOR DIFFUSION, HANGING DROP, temperature 300K