2J4R

Structural Study of the Aquifex aeolicus PPX-GPPA enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-28
Detector	MARRESEARCH
Spacegroup name	P 32 2 1
Unit cell lengths	70.460, 70.460, 223.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.020 - 2.710
R-factor	0.212
Rwork	0.212
R-free	0.29600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t6c
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	XDS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.540	2.860
High resolution limit [Å]	2.710	2.710
Rmerge	0.110	0.440
Number of reflections	85915
<I/σ(I)>	10.5	3.2
Completeness [%]	96.8	88.9
Redundancy	4.9	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				SODIUM ACETATE, MES, MPD