1NRI

Crystal Structure of Putative Phosphosugar Isomerase HI0754 from Haemophilus influenzae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-09-13
Detector	SBC-2
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	104.656, 41.272, 77.252
Unit cell angles	90.00, 123.76, 90.00

Refinement procedure

Resolution	43.500 - 1.900
R-factor	0.216
Rwork	0.212
R-free	0.24600
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.100
Data reduction software	d*TREK
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.500	1.950
High resolution limit [Å]	1.880	1.880
Rmerge	0.078	0.222
Number of reflections	22432
<I/σ(I)>	8.1	5
Completeness [%]	98.8	98.2
Redundancy	3.7	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEGME 5000, Ammonium Sulfate,MES, EDTA, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEGME 5000, Ammonium Sulfate,MES, EDTA, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEGME 5000, Ammonium Sulfate,MES, EDTA, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K