5E3B

Structure of macrodomain protein from Streptomyces coelicolor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-12
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.976
Spacegroup name	P 43 21 2
Unit cell lengths	103.819, 103.819, 33.254
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.430 - 1.600
R-factor	0.1861
Rwork	0.184
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fg1
RMSD bond length	0.023
RMSD bond angle	2.252
Data reduction software	XDS
Data scaling software	Aimless (0.5.12)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.430	46.430	1.630
High resolution limit [Å]	1.600	8.770	1.600
Rmerge	0.120	0.069	1.180
Rpim	0.043	0.027	0.433
Total number of observations	206585	1434	8611
Number of reflections	24097
<I/σ(I)>	11.5	25	1.8
Completeness [%]	97.9	99.4	89.5
Redundancy	8.6	7.1	8.1
CC(1/2)	0.997	0.996	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M Tris-HCl, 0.29 M sodium chloride, 1.0 M sodium citrate