2GZL

Structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with a CDP derived fluorescent inhibitor

Replaces:  2AO4

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	2004-11-06
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9330
Spacegroup name	I 21 3
Unit cell lengths	145.098, 145.098, 145.098
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.20855
Rwork	0.207
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gx1
RMSD bond length	0.009
RMSD bond angle	1.256
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.500	2.640
High resolution limit [Å]	2.500	2.500
Rmerge		0.685
Number of reflections	17715
<I/σ(I)>		2.9
Completeness [%]	99.8	100
Redundancy		8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	290	0.1M AMMONIUM SULFATE, 8% PEG 200 MME, 0.1M SODIUM ACETATE, pH 5.00, VAPOR DIFFUSION, HANGING DROP, temperature 290K