2HSZ

Crystal structure of a predicted phosphoglycolate phosphatase (hs_0176) from haemophilus somnus 129pt at 1.90 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97925,1.28281,0.97914
Spacegroup name	P 21 21 2
Unit cell lengths	81.617, 118.436, 66.503
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.988 - 1.900
R-factor	0.171
Rwork	0.169
R-free	0.20500
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.495
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.988	29.990	1.950
High resolution limit [Å]	1.897	8.500	1.900
Rmerge	0.074	0.050	0.653
Total number of observations		4406	13790
Number of reflections	51412
<I/σ(I)>	6.9	9.7	1
Completeness [%]	100.0	97.6	100
Redundancy	4.8	6.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.9	277	0.2M NaAcetate, 20.0% PEG-3350, No Buffer pH 7.9, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K