2BNE

The structure of E. coli UMP kinase in complex with UMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Spacegroup name	H 3
Unit cell lengths	140.434, 140.434, 59.993
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.300
R-factor	0.2065
Rwork	0.206
R-free	0.25430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bnd
RMSD bond length	0.006
RMSD bond angle	1.180
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.300	2.300
Rmerge	0.110	0.480
Number of reflections	19016
<I/σ(I)>	11	2.7
Completeness [%]	95.1	93.8
Redundancy	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		pH 8.50