4CMQ

Crystal structure of Mn-bound S.pyogenes Cas9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-28
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	159.880, 210.120, 90.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.528 - 3.090
R-factor	0.25
Rwork	0.249
R-free	0.27710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cmp
RMSD bond length	0.004
RMSD bond angle	0.772
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.530	3.180
High resolution limit [Å]	3.090	3.090
Rmerge	0.100	0.940
Number of reflections	56200
<I/σ(I)>	19.1	2.3
Completeness [%]	100.0	100
Redundancy	7.1	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		0.1 M TRIS 8.5, 0.3 M LITHIUM SULFATE, 15% PEG 3350 SOAKED IN MOTHER LIQUOR SUPPLEMENTED WITH 20 MM MNCL2