5ZR4

Manganese-dependent transcriptional repressor

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	2014-04-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.89
Spacegroup name	C 2 2 21
Unit cell lengths	89.500, 109.040, 106.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.065 - 3.100
R-factor	0.2548
Rwork	0.249
R-free	0.30020
RMSD bond length	0.003
RMSD bond angle	0.846
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2719: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.065	3.210
High resolution limit [Å]	3.100	3.100
Number of reflections	9651
<I/σ(I)>	12.39
Completeness [%]	98.9
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M HEPES pH 7.5, 30% PEG 400