5UKY

DHp domain of PhoR of M. tuberculosis - native data

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-15
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	23.250, 74.534, 44.539
Unit cell angles	90.00, 96.64, 90.00

Refinement procedure

Resolution	44.240 - 2.020
R-factor	0.1733
Rwork	0.171
R-free	0.21680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ukv
RMSD bond length	0.015
RMSD bond angle	1.759
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.050
High resolution limit [Å]	2.020	2.020
Rpim	0.043	0.171
Number of reflections	8250	147
<I/σ(I)>	18.2	2.5
Completeness [%]	82.6	29.9
Redundancy	3.6	1.8
CC(1/2)		0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	PEG 200, potassium/sodium phosphate, sodium chloride