7TLQ

Structure of Atopobium parvulum SufS C375S

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	2019-05-05
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 2 21 21
Unit cell lengths	71.120, 110.612, 122.343
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.800 - 2.200
R-factor	0.1971
Rwork	0.195
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j8q
RMSD bond length	0.002
RMSD bond angle	0.557
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.800	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	47832	2393
<I/σ(I)>	17.1	3.9
Completeness [%]	97.2
Redundancy	2.9
CC(1/2)	0.990	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	22% PEG3350, 50 mM sodium malate