7BBX

Neisseria gonorrhoeae transaldolase, variant K8A

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	2020-09-04
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.68880
Spacegroup name	P 21 21 21
Unit cell lengths	42.420, 82.890, 90.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.390 - 0.850
R-factor	0.1081
Rwork	0.108
R-free	0.11910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3clm
RMSD bond length	0.008
RMSD bond angle	1.142
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]	38.391	50.000	0.870
High resolution limit [Å]	0.850	10.000	0.850
Rmerge	0.048	0.036	2.227
Rmeas	0.050	0.042	2.347
Number of reflections	276361	177	17731
<I/σ(I)>	22.75	42.9	1.11
Completeness [%]	99.2	81.6	95.2
Redundancy	12.796	4.695	9.979
CC(1/2)	0.999	0.995	0.460

Crystallization Conditions

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