5C35

Constitutively active Sin recombinase cataltyic domain - T77II100T/Q115R

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	77
Detector technology	CCD
Collection date	2014-02-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97907
Spacegroup name	P 65 2 2
Unit cell lengths	73.842, 73.842, 180.483
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.172 - 2.400
R-factor	0.3179
Rwork	0.316
R-free	0.33530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pkz
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX ((phenix.refine: dev_1951))
Refinement software	PHENIX ((phenix.refine: dev_1951))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.400	2.400
Rmerge	0.101	0.073	0.000
Rmeas	0.106	0.076
Rpim	0.028	0.019
Total number of observations	211480
Number of reflections	12607
<I/σ(I)>	35.8		0.4
Completeness [%]	99.7	98.7	96.5
Redundancy	17.3	15.9	6.5
CC(1/2)		0.998	0.189

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	10mM DTT, 500mM HEPES, pH 7.0, 0.96 M AmSO4, 8% PEG 400