7DNR

Crystal Structure of Zn-bound SIS Domain of Glucosamine-6-P Synthase from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	70.099, 67.889, 73.952
Unit cell angles	90.00, 111.44, 90.00

Refinement procedure

Resolution	23.520 - 1.700
R-factor	0.2149
Rwork	0.214
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1moq
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.046	0.031	0.694
Rmeas	0.050	0.033	0.753
Rpim	0.019	0.013	0.289
Total number of observations	577746
Number of reflections	85139	4368	4260
<I/σ(I)>	7.5
Completeness [%]	100.0	99.5	100
Redundancy	6.8	6.5	6.6
CC(1/2)		0.999	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291.15	PEG 5000 MME, sodium acetate, zinc cloride