7K82

The X-ray crystal structure of SSR4, an S. pombe chromatin remodelling protein: sulfur SAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-04
Detector	ADSC QUANTUM 315
Wavelength(s)	1.548600
Spacegroup name	P 21 21 21
Unit cell lengths	50.342, 68.255, 67.779
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.400 - 2.100
Rwork	0.192
R-free	0.22170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7k7v
RMSD bond length	0.010
RMSD bond angle	1.534
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.400	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.355
Rpim	0.036	0.469
Number of reflections	14204	1128
<I/σ(I)>	18.3	1.7
Completeness [%]	99.9	99.6
Redundancy	97.3	101
CC(1/2)	0.999	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281	Crystallisation experiments were set up in SD2 sitting drop plates at 8 C with 200 nL protein plus 200 nL reservoir with 50 uL of reservoir in the wells. The protein concentration was 5 mg/mL. Reservoir conditions contained 1.5 to 1.9 M ammonium sulfate, 0.7-12% dioxane and either 100 mM MES, 100 mM bis-tris or 10% (v/v) malate-MES-tris buffer at a pH between 5.5 and 5.8