2V4Y

THE STRUCTURE OF E. COLI UMP KINASE IN COMPLEX WITH ITS ALLOSTERIC REGULATOR GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	66.280, 145.780, 146.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.038 - 2.800
R-factor	0.209
Rwork	0.207
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bnf
RMSD bond length	0.000
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.150	2.880
High resolution limit [Å]	2.800	2.800
Rmerge	0.140	0.810
Number of reflections	34062
<I/σ(I)>	12.2	2.5
Completeness [%]	99.4	100
Redundancy	7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				43% PEG 400, 100 MM SODIUM ACETATE, PH 4.6, 22.5 MM GTP, 100 MM NACL.