5XLM

Monomer form of M.tuberculosis PknI sensor domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97906
Spacegroup name	P 31
Unit cell lengths	58.791, 58.791, 92.094
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.558 - 2.200
R-factor	0.222
Rwork	0.220
R-free	0.25590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.658
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.059	0.985
Rpim	0.028	0.028
Number of reflections	18077	909
<I/σ(I)>	28.6	1.8
Completeness [%]	99.9	100
Redundancy	5.6	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1M succinic acid, pH 7.0, 0.1M HEPES, 1% w/v PEG monomethyl ether 2000