6RMR

Crystal structure of Escherichia coli periplasmic glucose-1-phosphatase H18D mutant

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	2017-11-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9340
Spacegroup name	P 21 21 21
Unit cell lengths	64.035, 101.651, 114.929
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.768 - 2.500
R-factor	0.228870454809
Rwork	0.225
R-free	0.26615
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nt4
RMSD bond length	0.004
RMSD bond angle	0.617
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.483	2.589
High resolution limit [Å]	2.300	2.500
Rmerge	0.139	1.257
Rmeas	0.152	1.361
Rpim	0.059	0.517
Number of reflections	26470	2595
<I/σ(I)>	10.39
Completeness [%]	99.2
Redundancy	6.5
CC(1/2)	0.997	0.637

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	0.1 M CHES, pH 9.5, 20 % w/v PEG 800 13 mg/mL AGP in 10 mM NaAc p 4.5