7BVU

Crystal structure of S. thermophilus NFeoB E66A.E67A bound to GDP.AlF4-

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-09-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	48.619, 72.402, 157.957
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.830 - 2.500
R-factor	0.1925
Rwork	0.191
R-free	0.22930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ss8
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP (11.5.04)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	2.540
High resolution limit [Å]	2.500	6.770	2.500
Rmerge	0.073	0.072	0.273
Rmeas	0.079	0.078	0.301
Rpim	0.029	0.029	0.121
Total number of observations	141289
Number of reflections	18799	1125	900
<I/σ(I)>	18.3
Completeness [%]	93.4	99.6	93
Redundancy	7.5	8	5.7
CC(1/2)		0.992	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	7.5 mg/ml protein with equal volume of 100 mM Tris-8.0, 400 mM Ammonium chloride, 26 % PEG 6000