1J8D

Structure Of the metal-free form of the deoxy-D-mannose-octulosonate 8-phosphate phosphatase (YrbI) From Haemophilus Influenzae (HI1679)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-20
Detector	BRANDEIS
Wavelength(s)	0.9790, 0.9787, 0.9500
Spacegroup name	I 2 2 2
Unit cell lengths	67.770, 132.300, 140.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.176 *
Rwork	0.176
R-free	0.25800
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.089	0.171
Total number of observations	158161 *
Number of reflections	28788
<I/σ(I)>	10
Completeness [%]	97.8	95.9
Redundancy	5.4	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	4 *	protein (10 mg/ml) in 10mM NaHepes, pH 7.5, 1mM EDTA, 1mM DTT; crystallization in 22% polyethylene glycol 4000, 0.1 M Tris-HCl, 0.2 M Lithium sulfate. Glycerol added as cryoprotectant., pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	22 (%(w/v))
2	1	reservoir		0.2 (M)
3	1	reservoir	Tris-HCl	0.1 (M)	pH8.5
4	1	drop	protein	29 (mg/ml)
5	1	drop	HEPES	10 (mM)	pH7.5
7	1	drop	EDTA	1 (mM)
8	1	drop	dithiothreitol	1 (mM)