3ROJ

D-fructose 1,6-bisphosphatase class 2/sedoheptulose 1,7-bisphosphatase of Synechocystis sp. PCC 6803

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-12
Detector	OXFORD ONYX CCD
Wavelength(s)	1.5418
Spacegroup name	P 65
Unit cell lengths	144.282, 144.282, 168.795
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.542 - 2.300
R-factor	0.1845
Rwork	0.183
R-free	0.20440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d1r
RMSD bond length	0.003
RMSD bond angle	0.816
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]	25.950	25.950	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge	0.119	0.031	0.551
Number of reflections	87598
<I/σ(I)>	19.7	54	2.9
Completeness [%]	99.2	97.6	95.4
Redundancy	14.7	16.3	6.6

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, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K