7ODQ

Neisseria gonorrhoeae transaldolase at 5.4 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)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	42.200, 82.850, 89.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.160 - 1.400
R-factor	0.1483
Rwork	0.147
R-free	0.17240
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]	38.160	38.160	1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.105	0.037	2.423
Rmeas	0.109	0.039	2.518
Total number of observations	834239
Number of reflections	62051	799	4486
<I/σ(I)>	13.53	50.63	1.04
Completeness [%]	99.1	97	98.7
Redundancy	13.444	11.71	13.335
CC(1/2)	0.999	0.999	0.535

Crystallization Conditions

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