6ZWH

Neisseria gonorrhoeae transaldolase at 1.5 Angstrom resolution

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]	80
Detector technology	PIXEL
Collection date	2020-03-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.001
Spacegroup name	P 21 21 21
Unit cell lengths	42.255, 82.980, 90.337
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.490 - 1.500
R-factor	0.1517
Rwork	0.150
R-free	0.18050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3clm
RMSD bond length	0.007
RMSD bond angle	0.997
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.13_2998)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.490	1.600
High resolution limit [Å]	1.500	1.500
Rmeas	0.141	1.609
Number of reflections	51609	8931
<I/σ(I)>	11.33
Completeness [%]	99.9	99.8
Redundancy	13	1.3
CC(1/2)	0.999	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	PEG8000, Ammonium acetate, Sodium chloride, Glycylglycine, DTT