5C32

Constitutively active Sin recombinase cataltyic domain - I100T

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	77
Detector technology	CCD
Collection date	2014-01-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97907
Spacegroup name	C 2 2 21
Unit cell lengths	83.774, 114.194, 146.352
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.270 - 3.053
R-factor	0.2668
Rwork	0.261
R-free	0.31430
RMSD bond length	0.003
RMSD bond angle	0.506
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX ((phenix.refine: 1.9_1692))
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.940	5.260	1.940
Rmerge	0.152	0.097
Rmeas	0.159	0.101
Rpim	0.054	0.028
Total number of observations	322840
Number of reflections	47385
<I/σ(I)>	2.7
Completeness [%]	89.3	99.5	17.2
Redundancy	6.8	13.3	1.4
CC(1/2)		0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	10mM DTT, 50mM HEPES, pH7.0, 1.77M AmSO4, 13% PEG400, 5% propylene glycol