7ODO

Neisseria gonorrhoeae transaldolase at 0.27 MGy dose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97630
Spacegroup name	P 21 21 21
Unit cell lengths	42.140, 82.780, 89.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.110 - 1.400
R-factor	0.1402
Rwork	0.139
R-free	0.16330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zx4
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.110	38.110	1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.084	0.034	1.120
Rmeas	0.088	0.035	1.164
Total number of observations	830401
Number of reflections	61924	797	4484
<I/σ(I)>	17.5	53.56	2.39
Completeness [%]	99.2	97.2	98.8
Redundancy	13.41	11.715	13.322
CC(1/2)	0.999	0.999	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	PEG8000, Sodium citrate, Sodium Phosphate