5KCM

Crystal structure of iron-sulfur cluster containing photolyase PhrB mutant I51W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	97.607, 107.243, 113.672
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.655 - 2.149
R-factor	0.1663
Rwork	0.164
R-free	0.21290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dja
RMSD bond length	0.008
RMSD bond angle	0.969
Data reduction software	HKL-2000
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	44.655
High resolution limit [Å]	2.149
Number of reflections	65431
<I/σ(I)>	11.1
Completeness [%]	99.2
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	5% PEG 400 0.1 M MES at pH 6.5