4XQ3

Crystal structure of Sso-SmAP2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9762
Spacegroup name	H 3
Unit cell lengths	197.214, 197.214, 38.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.303 - 2.600
R-factor	0.1442
Rwork	0.141
R-free	0.17750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jri
RMSD bond length	0.006
RMSD bond angle	1.091
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	98.607	49.304	2.740
High resolution limit [Å]	2.600	8.220	2.600
Rmerge		0.058	0.990
Rmeas	0.141
Rpim	0.061	0.028	0.490
Total number of observations	91134	2872	12770
Number of reflections	17319
<I/σ(I)>	9.2	20.2	2.1
Completeness [%]	100.0	99.6	100
Redundancy	5.3	5.3	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	293	0.1 M citric acid, 25% w/v polyethylene glycol 3,350