3R0J

Structure of PhoP from Mycobacterium tuberculosis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-12
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9804, 0.9800, 0.9537
Spacegroup name	P 21 21 2
Unit cell lengths	79.228, 138.242, 58.906
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.810 - 2.500
R-factor	0.21344
Rwork	0.212
R-free	0.24515
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.589
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.138	0.765
Number of reflections	22929
<I/σ(I)>	16.6	2.78
Completeness [%]	99.3	98.3
Redundancy	8.5	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES, 1.8 M ammonium sulfate, 1.5% PEG 400, 12% 1.2-propanediol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K