8ITO

Crystal structure of FeRlp from Desulfovibrio vulgaris (Hildenborough)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-06-30
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	36.565, 57.856, 59.198
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.680 - 2.100
R-factor	0.1885
Rwork	0.185
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.991
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.680	2.040
High resolution limit [Å]	2.010	2.010
Rpim	0.039	0.207
Number of reflections	52024	425
<I/σ(I)>	15.9
Completeness [%]	99.6
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.5 M NaHPO4, 0.9 M K2HPO4, 0.8 M Potassium sodium tartrate