4RTF

Crystal structure of molecular chaperone DnaK from Mycobacterium tuberculosis H37Rv

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 64 2 2
Unit cell lengths	117.866, 117.866, 134.943
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.770
R-factor	0.21096
Rwork	0.208
R-free	0.26881
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v7y
RMSD bond length	0.013
RMSD bond angle	2.092
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.820
High resolution limit [Å]	2.770	2.770
Rmerge	0.070	0.640
Number of reflections	14714
<I/σ(I)>	52.8
Completeness [%]	99.8	99.6
Redundancy	21.4	22

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2 M Ammonium Chloride, 0.1 M HEPES, 20% PEG 6000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K