8QSW

Crystal structure of SPOUT1/CENP-32 | A356N catalytic site mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-03
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92000
Spacegroup name	C 2 2 21
Unit cell lengths	75.240, 80.694, 136.363
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.620 - 2.500
R-factor	0.20546
Rwork	0.203
R-free	0.26230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.701
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.620	2.690
High resolution limit [Å]	2.500	2.500
Rmerge	0.064	0.469
Rmeas	0.073	0.533
Rpim	0.033	0.246
Number of reflections	14321	2840
<I/σ(I)>	11.22	2.72
Completeness [%]	97.3
Redundancy	4.5
CC(1/2)	0.999	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.09 M NaF, NaBr, NaI; 0.1 M Sodium HEPES, MOPS (acid) pH 7.5 and 30 % Ethylene glycol, PEG 8K