3RPL

D-fructose 1,6-bisphosphatase class 2/sedoheptulose 1,7-bisphosphatase of Synechocystis sp. PCC 6803 in complex with FRUCTOSE-1,6-BISPHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-14
Detector	OXFORD ONYX CCD
Wavelength(s)	1.5418
Spacegroup name	P 65
Unit cell lengths	145.222, 145.222, 169.104
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.719 - 2.400
R-factor	0.1683
Rwork	0.166
R-free	0.20660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3roj
RMSD bond length	0.011
RMSD bond angle	1.188
Data reduction software	CrysalisPro
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.720	25.720	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge	0.131	0.028	0.609
Number of reflections	78184
<I/σ(I)>	12.4	35.4	2.2
Completeness [%]	99.2	97.4	95.1
Redundancy	6.4	6.5	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	100mM HEPES, 1.6M Ammonium Sulfate, 7-9% glycerol, 10mM FBP, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K