1MWQ

Structure of HI0828, a Hypothetical Protein from Haemophilus influenzae with a Putative Active-Site Phosphohistidine

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-09-23
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9793, 0.9795, 0.9664, 0.9832
Spacegroup name	P 21 21 21
Unit cell lengths	42.476, 63.317, 75.465
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 0.990
R-factor	0.1087
Rwork	0.108
R-free	0.13200 *
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	0.032
Data reduction software	XPREP
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	1.000
High resolution limit [Å]	0.990	0.990
Rmerge	0.063 *	0.216 *
Total number of observations	1042859 *
Number of reflections	206417
<I/σ(I)>	16.7	2.4
Completeness [%]	94.2	83.4 *
Redundancy	4.76	0.87

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	PEG4000, sodium cacodylate, sodium chloride, zinc acetate, dioxane, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	reservoir	PEG4000	16 (%)
3	1	reservoir	sodium cacodylate	0.1 (M)	pH5.5
4	1	reservoir	acetate	20 (mM)
5	1	reservoir	dioxane	2 (%)