4L78

Xenon Trapping and Statistical Coupling Analysis Uncover Regions Important for Structure and Function of Multidomain Protein StPurL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Detector technology	IMAGE PLATE
Collection date	2011-06-20
Detector	MAR scanner 345 mm plate
Spacegroup name	P 65
Unit cell lengths	146.680, 146.680, 141.221
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.570 - 2.180
R-factor	0.13952
Rwork	0.139
R-free	0.18768
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	2.192
Data scaling software	SCALA (3.3.20)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	127.028	40.559	2.300
High resolution limit [Å]	2.178	6.890	2.180
Rmerge		0.105	0.215
Number of reflections	89982
<I/σ(I)>	9.1	4.4	2.9
Completeness [%]	100.0	99.5	100
Redundancy	6.3	6.2	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	2M Ammonium Sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K