4MCT

P. vulgaris HIGBA structure, crystal form 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-08
Detector	ADSC QUANTUM 315
Spacegroup name	P 32 2 1
Unit cell lengths	94.860, 94.860, 126.814
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.080 - 2.800
R-factor	0.201
Rwork	0.197
R-free	0.23800
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.319
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AutoSol (1.7.2)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.155	0.752
Number of reflections	35400
<I/σ(I)>	13.8	2.1
Completeness [%]	100.0	97.2
Redundancy	6.8	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	293.15	3-10 % PEG 3350, 0.2 M L-proline, 0.1 M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K