2JJX

THE CRYSTAL STRUCTURE OF UMP KINASE FROM BACILLUS ANTHRACIS (BA1797)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-27
Detector	MARRESEARCH
Spacegroup name	P 61 2 2
Unit cell lengths	87.300, 87.300, 383.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.820
Rwork	0.200
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z9d
RMSD bond length	0.008
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.930
High resolution limit [Å]	2.820	2.820
Rmerge	0.100	0.770
Number of reflections	21872
<I/σ(I)>	12.6	1.6
Completeness [%]	98.5	98.8
Redundancy	8.1	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		0.2 M LITHIUM SULPHATE, 10% POLYETHYLENE GLYCOL 3000, 0.1 M IMIDAZOLE (PH 8.0)