1NPY

Structure of shikimate 5-dehydrogenase-like protein HI0607

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-07-02
Detector	SBC-2
Wavelength(s)	0.97921, 0.97935
Spacegroup name	P 1 21 1
Unit cell lengths	90.578, 66.575, 96.916
Unit cell angles	90.00, 109.56, 90.00

Refinement procedure

Resolution	30.000 - 1.750
R-factor	0.1813
Rwork	0.179
R-free	0.21900 *
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.700 *
Data reduction software	d*TREK
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.059	0.360
Number of reflections	108148
<I/σ(I)>	18	1.9
Completeness [%]	98.5	88
Redundancy	4	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	NaCl, NaAcetate, PEG400, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	NaCl, NaAcetate, PEG400, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	sodium acetate	0.1 (M)	pH4.6
3	1	reservoir		2.0 (M)
4	1	reservoir	PEG400	10 (%(v/v))