5L8M

Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at LCLS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE CXI
Synchrotron site	SLAC LCLS
Beamline	CXI
Temperature [K]	298
Detector technology	PIXEL
Collection date	2016-01-13
Detector	CS-PAD CXI-1
Wavelength(s)	1.3
Spacegroup name	C 1 2 1
Unit cell lengths	94.100, 54.800, 69.900
Unit cell angles	90.00, 92.60, 90.00

Refinement procedure

Resolution	38.200 - 2.100
R-factor	0.17811
Rwork	0.176
R-free	0.21827
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q0h
RMSD bond length	0.007
RMSD bond angle	1.313
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall
Low resolution limit [Å]	38.200
High resolution limit [Å]	2.100
Number of reflections	20853
<I/σ(I)>	7.77
Completeness [%]	100.0
Redundancy	819
CC(1/2)	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.95	283	sodium acetate, DTT, 2-methyl-2,4-pentandiol, PEG400