5I0A

RecA mini intein in complex with cisplatin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.0711
Spacegroup name	P 21 21 2
Unit cell lengths	57.269, 64.051, 37.167
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.167 - 1.500
R-factor	0.1724
Rwork	0.170
R-free	0.19280
Structure solution method	SAD
Starting model (for MR)	2in0
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.066	0.043	0.603
Rmeas	0.071	0.046	0.657
Rpim	0.026	0.017	0.255
Total number of observations	159217
Number of reflections	22614
<I/σ(I)>	12.9
Completeness [%]	99.9	99.2	100
Redundancy	7	6.5	6.5
CC(1/2)		0.999	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	298	58% ammonium sulfate, 0.1M Tris, pH 8.5, 2% isopropanol, 2 mM cisplatin