6MYL

The Prp8 intein-cisplatin complex

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	2016-04-29
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.07147
Spacegroup name	P 41 21 2
Unit cell lengths	74.853, 74.853, 191.886
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.545 - 3.060
R-factor	0.2481
Rwork	0.243
R-free	0.29750
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6mwy
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	35.500	3.120
High resolution limit [Å]	3.050	7.520	3.050
Rmerge	0.101	0.075	0.954
Rmeas	0.110	0.081	1.048
Rpim	0.043	0.031	0.425
Number of reflections	18509	765	602
<I/σ(I)>	14.1
Completeness [%]	97.2	95.3	93.8
Redundancy	5.8	6.1	5.6
CC(1/2)		0.997	0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1.5 M SODIUM CITRATE, 0.1M HEPES, PH 7.5, 10 MM DTT, 2% ISOPROPANOL