5KHL

Crystal Structure of periplasmic Heme binding protein HutB of Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-24
Detector	RAYONIX MX-225
Wavelength(s)	0.980
Spacegroup name	P 43 21 2
Unit cell lengths	62.884, 62.884, 135.774
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.530 - 2.397
R-factor	0.2051
Rwork	0.200
R-free	0.25630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rg7
RMSD bond length	0.009
RMSD bond angle	1.297
Data scaling software	SCALA
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.000	2.490
High resolution limit [Å]	2.397	2.400
Number of reflections	11192
<I/σ(I)>	29.9
Completeness [%]	99.2
Redundancy	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.8 M ammonium sulfate, 0.1 M HEPES (pH 7.0) against a reservoir solution 1.6 M ammonium sulfate