4Q7E

Non-phosphorylated HemR Receiver Domain from Leptospira biflexa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-10-01
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	57.446, 62.963, 66.977
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.847 - 1.441
R-factor	0.1415
Rwork	0.140
R-free	0.18460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.465
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.977	35.847	1.520
High resolution limit [Å]	1.441	4.560	1.440
Rmerge		0.023	0.210
Total number of observations		7546	18575
Number of reflections	40835
<I/σ(I)>	22.6	22.6	3.6
Completeness [%]	91.5	99.7	93.5
Redundancy	3.9	4.8	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	2M ammonium sulfate, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K