5LBP

Oceanobacillus iheyensis macrodomain mutant N30A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	43.846, 61.785, 68.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.788 - 1.760
R-factor	0.2065
Rwork	0.205
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1spv
RMSD bond length	0.009
RMSD bond angle	1.223
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.780	1.920
High resolution limit [Å]	1.750	1.750
Rmerge		0.617
Number of reflections	19240
<I/σ(I)>	10.4	3.6
Completeness [%]	99.1	97.6
Redundancy	6.3	5.4
CC(1/2)	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% (w/v) PEG1500, 20% glycerol