5ZR6

Manganese-dependent transcriptional repressor complex with manganese

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.89
Spacegroup name	C 1 2 1
Unit cell lengths	137.120, 47.459, 88.468
Unit cell angles	90.00, 116.04, 90.00

Refinement procedure

Resolution	44.287 - 3.000
R-factor	0.2402
Rwork	0.237
R-free	0.26910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.642
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2666: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.110
High resolution limit [Å]	3.000	3.000
Number of reflections	9802
<I/σ(I)>	28.31
Completeness [%]	95.2
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1M Bis-Tris propane pH 9.2, 11.5% v/v Jeffamine ED2001 pH 7.0