5B50

Crystal structure of heme binding protein HmuT Y240A

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	2014-04-21
Detector	RAYONIX MX300HE
Wavelength(s)	0.90
Spacegroup name	P 41 21 2
Unit cell lengths	73.010, 73.010, 145.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.414 - 1.650
R-factor	0.1778
Rwork	0.176
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5az3
RMSD bond length	0.015
RMSD bond angle	1.391
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.410	1.740
High resolution limit [Å]	1.650	1.650
Rmerge	0.093	0.508
Number of reflections	48329
<I/σ(I)>	16.6	5.2
Completeness [%]	100.0	100
Redundancy	14.3	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	2.1 M Ammonium sulfate, 0.2 M Potassium thiocyanate, 0.5 % beta-Octyl glucoside, 20 % Glycerol