7BBW

Neisseria gonorrhoeae transaldolase, variant C38S

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	2020-10-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.72930
Spacegroup name	P 1 21 1
Unit cell lengths	44.970, 53.990, 153.860
Unit cell angles	90.00, 94.05, 90.00

Refinement procedure

Resolution	34.060 - 1.250
R-factor	0.131
Rwork	0.130
R-free	0.15150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3clm
RMSD bond length	0.007
RMSD bond angle	0.992
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	153.476	153.476	1.280
High resolution limit [Å]	1.250	5.590	1.250
Rmerge	0.030	0.015	0.423
Rmeas	0.035	0.018	0.503
Number of reflections	199443	2215	14758
<I/σ(I)>	20.28	56.32	3.14
Completeness [%]	98.1	92.4	98.6
Redundancy	3.462	3.149	3.435
CC(1/2)	0.999	0.999	0.818

Crystallization Conditions

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