5LFA

Crystal structure of iron-sulfur cluster containing bacterial (6-4) photolyase PhrB - Y424F mutant with impaired DNA repair activity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96863
Spacegroup name	P 2 21 21
Unit cell lengths	56.183, 94.441, 103.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.790 - 2.500
R-factor	0.18388
Rwork	0.181
R-free	0.23961
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dja
RMSD bond length	0.010
RMSD bond angle	1.303
Data reduction software	XDS (BUILT=20160514)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.790	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.200	0.750
Number of reflections	19657
<I/σ(I)>	5.3	2.1
Completeness [%]	99.5	100
Redundancy	5.3	5.3
CC(1/2)	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	100 MM MES, 5% PEG400, PH 6.0,