1K1E

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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)	0.95
Spacegroup name	C 1 2 1
Unit cell lengths	109.300, 109.100, 179.100
Unit cell angles	90.00, 107.60, 90.00

Refinement procedure

Resolution	20.000 - 1.670
Rwork	0.178
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HI1679 (PDB code 1j8d)
RMSD bond angle	0.021
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.750
High resolution limit [Å]	1.670	1.670
Rmerge	0.120	0.213
Number of reflections	199616
<I/σ(I)>	11.6
Completeness [%]	86.1	49.3
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	1.5 M ammonium sulfate, 0.1 M MES, 10 mM CoCl2. Crystal soaked with 1mM Hg acetate for 3 days. 10% glycerol added for flash-cooling, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K