2WE5

Carbamate kinase from Enterococcus faecalis bound to MgADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-07-01
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	103.522, 103.522, 155.414
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.390
R-factor	0.2012
Rwork	0.201
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b7b
RMSD bond length	0.004
RMSD bond angle	1.228
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.470
High resolution limit [Å]	1.390	1.390
Rmerge	0.050	0.330
Number of reflections	172839
<I/σ(I)>	7	2.2
Completeness [%]	90.4	87.1
Redundancy	3.3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	CRYSTALS WERE OBTAINED AT 4 DEGREES USING THE HANGING DROP VAPOUR DIFFUSION METHOD BY MIXING 1.5 MIRCROLITERS OF A 10 MG/ML PROTEIN SOLUTION IN 5 MM SODIUM CACODYLATE PH 6.5, 2 MM ADP, 5 MM MGCL2 AND 50 MM SODIUM PHOPHONOACETATE, AND 1.5 MICROLITERS OF THE RESERVOIR BUFFER CONTAINING 13-16% PEG 8000, 130-160 MM MAGNESIUM ACETATE AND 0.1 M SODIUM CACODYLATE PH 6.5