6JTL

Crystal structure of NagZ from Neisseria gonorrhoeae in complex with zinc ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-06-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	67.805, 90.992, 103.325
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.400
R-factor	0.2053
Rwork	0.203
R-free	0.24919
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jti
RMSD bond length	0.009
RMSD bond angle	1.339
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.121	0.560
Number of reflections	25780	1244
<I/σ(I)>	23.4	2.5
Completeness [%]	99.7	98.3
Redundancy	6.1	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.2 M Sodium acetate trihydrate, 20% w/v polyethylene glycol 3,350 pH8.0