1YDF

Crystal structure of a HAD-like phosphatase from Streptococcus pneumoniae

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9790, 0.97938, 0.95
Spacegroup name	P 21 21 2
Unit cell lengths	74.430, 99.929, 39.841
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.490 - 2.600
R-factor	0.217
Rwork	0.217
R-free	0.26700
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.300
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge		0.330
Number of reflections	11211
<I/σ(I)>	13.4	11
Completeness [%]	97.5	86
Redundancy	12.19	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5	293	MgCl2, Tris HCL, PEG3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 8.50