3ERN

Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with AraCMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-01
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9756
Spacegroup name	P 1 21 1
Unit cell lengths	88.856, 54.236, 118.384
Unit cell angles	90.00, 94.99, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.219
Rwork	0.218
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gx1
RMSD bond length	0.009
RMSD bond angle	1.235
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.154
High resolution limit [Å]	2.100	2.100
Number of reflections	65677
Completeness [%]	91.9	92.95
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	298	0.1M ammonium sulfate, sodium acetate, PEG 2000 MME, pH 4.4, vapor diffusion, hanging drop, temperature 298K