5AQD

Crystal structure of Phormidium Phycoerythrin at pH 8.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97947
Spacegroup name	P 1
Unit cell lengths	108.298, 108.360, 116.592
Unit cell angles	78.94, 82.50, 60.34

Refinement procedure

Resolution	29.291 - 2.121
R-factor	0.1782
Rwork	0.175
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vjh
RMSD bond length	0.008
RMSD bond angle	2.138
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.290	2.240
High resolution limit [Å]	2.120	2.120
Rmerge	0.080	0.290
Number of reflections	245717
<I/σ(I)>	9.9	3.2
Completeness [%]	96.1	95.1
Redundancy	2.1	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		PROTEIN CONCENTRATION 9.2 MG/ML. 1.25 M AMMONIUM SULPHATE, 0.075M TRSIS-HCL (PH 8.5), 20% GLYCEROL