5NWN

Deinococcus radiodurans BphP PAS-GAF-PHY Y263F mutant, dark

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	2017-01-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97779
Spacegroup name	P 21 21 21
Unit cell lengths	84.110, 197.120, 214.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.940 - 3.600
R-factor	0.2495
Rwork	0.247
R-free	0.28680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c5k
RMSD bond length	0.007
RMSD bond angle	1.175
Data reduction software	XDS
Data scaling software	XSCALE (Nov 1, 2016)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.940	19.940	3.690
High resolution limit [Å]	3.600	15.000	3.600
Rmerge	0.072	0.027	1.414
Rmeas	0.082	0.031	1.592
Number of reflections	40750	355	2947
<I/σ(I)>	11.59	37.75	0.9
Completeness [%]	96.6	50.9	98.8
Redundancy	4.389	3.628	4.522
CC(1/2)	0.999	0.999	0.343

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	100 mM Tris/HCL pH 8.5, 200 mM sodium acetate trihydrate, 30% PEG4000