8ZTP

Crystal structure of cysteine desulfurase Sufs from Mycoplasma Pneumonia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	55.516, 91.380, 161.114
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.599 - 3.200
R-factor	0.2391
Rwork	0.236
R-free	0.26790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xt6
RMSD bond length	0.003
RMSD bond angle	0.541
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.260
High resolution limit [Å]	3.200	8.670	3.200
Rmerge	0.210	0.095	1.015
Rmeas	0.219	0.099	1.059
Rpim	0.061	0.030	0.298
Total number of observations	181486
Number of reflections	14190	811	708
<I/σ(I)>	4
Completeness [%]	100.0	99.9	100
Redundancy	12.8	10.5	12.5
CC(1/2)	0.997	0.995	0.777

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	HEPES, Jeffamine