7ODP

Neisseria gonorrhoeae transaldolase at 2.7 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	42.170, 82.820, 89.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.140 - 1.400
R-factor	0.143
Rwork	0.142
R-free	0.16640
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]	38.140	38.140	1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.092	0.035	1.553
Rmeas	0.096	0.037	1.613
Total number of observations	832453
Number of reflections	61991	798	4483
<I/σ(I)>	15.69	52.67	1.71
Completeness [%]	99.1	97	98.7
Redundancy	13.429	11.757	13.333
CC(1/2)	0.999	0.999	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	PEG8000, Sodium citrate, Sodium phosphate