7TLM

Structure of Atopobium parvulum SufS

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 61 2 2
Unit cell lengths	92.011, 92.011, 178.242
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.710 - 1.800
R-factor	0.1961
Rwork	0.195
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j8q
RMSD bond length	0.008
RMSD bond angle	0.905
Data reduction software	d*TREK
Data scaling software	d*TREK (9.9.9.11W9R)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.710	29.710	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.061	0.046	0.291
Rmeas	0.062	0.047	0.313
Total number of observations	740239	87716	27038
Number of reflections	41844	4534	3898
<I/σ(I)>	23.9	50.1	5.1
Completeness [%]	99.4	100	94.6
Redundancy	17.56	19.19	6.93

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	10% glycerol, 20% PEG300, 10% PEG8000