4RZI

Crystal structure of PhaB from Synechocystis sp. PCC 6803

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-06-06
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.0001
Spacegroup name	P 62 2 2
Unit cell lengths	122.806, 122.806, 199.941
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.765 - 2.891
R-factor	0.2031
Rwork	0.201
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.253
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.940
High resolution limit [Å]	2.890	7.840	2.890
Number of reflections	20301
Completeness [%]	97.0	99.1	99
Redundancy	42

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	0.22M MgAC, 0.1M sodium cacodylater trihydrate pH6.5, 18%PEG8000 , VAPOR DIFFUSION, HANGING DROP, temperature 289K