6K40

Crystal structure of alkyl hydroperoxide reductase from D. radiodurans R1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-15
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	52.094, 166.862, 285.047
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.100 - 2.270
R-factor	0.209
Rwork	0.208
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oyo
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.310
High resolution limit [Å]	2.270	2.270
Rmerge	0.514	5.872
Number of reflections	115515	5632
<I/σ(I)>	9.1	0.889
Completeness [%]	100.0
Redundancy	13.6
CC(1/2)	0.980	0.234

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		295	magnesium chloride, Tris-HCl, PEG 4000, glycerol