7Z9D

Deinococcus radiodurans BphP PAS-GAF H260A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-16
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	C 1 2 1
Unit cell lengths	93.930, 54.390, 70.470
Unit cell angles	90.00, 92.39, 90.00

Refinement procedure

Resolution	19.910 - 1.880
R-factor	0.1892
Rwork	0.187
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o9c
RMSD bond length	0.005
RMSD bond angle	1.343
Data reduction software	XDS (Jun 1, 2017)
Data scaling software	XSCALE
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.910	19.910	1.930
High resolution limit [Å]	1.880	10.000	1.880
Rmerge	0.145	0.027	1.683
Rmeas	0.163	0.031	1.897
Total number of observations	140132
Number of reflections	28767	182	2024
<I/σ(I)>	7.38	37.15	0.67
Completeness [%]	98.9	85.4	97.1
Redundancy	4.871	4.429	4.637
CC(1/2)	0.996	0.999	0.324

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.95	282	sodium acetate, PEG 400, DTT, 2-methyl-2,4-pentanediol