7Z9E

Deinococcus radiodurans BphP PAS-GAF H260A/Y263F 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	93.760, 54.330, 70.370
Unit cell angles	90.00, 92.16, 90.00

Refinement procedure

Resolution	19.840 - 1.480
R-factor	0.1297
Rwork	0.128
R-free	0.16870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o9c
RMSD bond length	0.007
RMSD bond angle	1.448
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]	19.840	19.840	1.520
High resolution limit [Å]	1.480	10.000	1.480
Rmerge	0.041	0.021	1.450
Rmeas	0.047	0.025	1.651
Total number of observations	241285
Number of reflections	57357	175	4101
<I/σ(I)>	16.43	64.45	1.05
Completeness [%]	97.1	82.2	96
Redundancy	4.207	3.754	4.328
CC(1/2)	0.999	0.998	0.383

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