2OZZ

Crystal structure of YhfZ from Shigella flexneri

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	2006-04-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97912
Spacegroup name	P 21 21 21
Unit cell lengths	47.270, 62.550, 170.192
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.710 - 2.298
R-factor	0.229
Rwork	0.222
R-free	0.28800
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.570
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	REFMAC (5.2.0000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.710	2.380
High resolution limit [Å]	2.298	2.298
Rmerge	0.108	0.601
Number of reflections	23138
<I/σ(I)>	10.1	2.21
Completeness [%]	99.2	95
Redundancy	14.3	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	291	0.2 M Ammonium sulfate, 0.1 M Sodium citrate, pH 5.6, 20 % PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 291K