1NT4

Crystal structure of Escherichia coli periplasmic glucose-1-phosphatase H18A mutant complexed with glucose-1-phosphate

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-07
Detector	ADSC QUANTUM 4
Wavelength(s)	1.2146, 1.2149, 1.3190
Spacegroup name	H 3
Unit cell lengths	156.263, 156.263, 84.575
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.400
R-factor	0.218
Rwork	0.218
R-free	0.28400
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.420
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.078 *	0.271 *
Total number of observations	95761 *
Number of reflections	27760 *
<I/σ(I)>	17.4	3.5
Completeness [%]	91.9	91.1
Redundancy	3.45	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.25 *	293	Ammonium sulfate, PEG 500 mme, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	reservoir	ammonium sulfate	1.75-1.2 (M)
3	1	reservoir	PEG5000 MME	25 (%(w/v))
4	1	reservoir	MES	0.05 (M)	pH6.25