5B1N

DHp domain structure of EnvZ from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-15
Detector	RAYONIX MX300HE
Wavelength(s)	0.9000
Spacegroup name	P 62
Unit cell lengths	38.510, 38.510, 84.508
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.255 - 1.330
R-factor	0.1784
Rwork	0.177
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zrx
RMSD bond length	0.016
RMSD bond angle	1.623
Data reduction software	SCALA
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.258	42.258	1.400
High resolution limit [Å]	1.200	4.210	1.330
Rmerge	0.052	0.030	0.418
Rmeas	0.057
Rpim	0.022	0.014	0.176
Total number of observations	104426	1865	15234
Number of reflections	15966
<I/σ(I)>	18.1	28.5	4.5
Completeness [%]	97.9	65.3	100
Redundancy	6.5	5.3	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	293	1.1-1.3 M sodium/potassium phosphate