7TLR

Structure of Atopobium parvulum SufS A34Y mutant

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	2019-11-24
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	76.314, 86.780, 133.438
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.300 - 2.100
R-factor	0.2124
Rwork	0.211
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j8q
RMSD bond length	0.003
RMSD bond angle	0.578
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]	36.300	2.175
High resolution limit [Å]	2.100	2.100
Number of reflections	52321	5123
<I/σ(I)>	26.1
Completeness [%]	99.6	99.07
Redundancy	7.2	6.1
CC(1/2)	0.990	0.976

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	24% PEG3350, 50 mM sodium malate