2WE4

Carbamate kinase from Enterococcus faecalis bound to a sulfate ion and two water molecules, which mimic the substrate carbamyl phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	1999-11-20
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	80.888, 172.600, 98.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.020
R-factor	0.195
Rwork	0.195
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b7b
RMSD bond length	0.005
RMSD bond angle	1.150
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.020	2.020
Rmerge	0.090	0.440
Number of reflections	88372
<I/σ(I)>	6.6	1.6
Completeness [%]	93.0	82
Redundancy	6.3	5.2

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 MICROLITERS OF A 10 MG/ML PROTEIN SOLUTION IN 5 MM SODIUM CACODYLATE PH 6.5 AND 1.5 MICROLITERS OF THE RESERVOIR BUFFER CONTAINING 16-20% PEG 8000, 25-100 MM AMMONIUM SULFATE AND 0.1 M SODIUM CACODYLATE PH 6.5