2HEG

Phospho-Aspartyl Intermediate Analogue of Apha class B acid phosphatase/phosphotransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.939239
Spacegroup name	C 1 2 1
Unit cell lengths	92.428, 66.631, 90.103
Unit cell angles	90.00, 119.85, 90.00

Refinement procedure

Resolution	51.230 - 1.500
R-factor	0.16643
Rwork	0.164
R-free	0.18943
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB code 2B82
RMSD bond length	0.008
RMSD bond angle	1.125
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.230	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.068	0.358
Number of reflections	75720
Completeness [%]	99.8	100
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	279	reservoir: Na acetate 50mM, PEG6000 18% (w/v), 0.6% Spermine (w/v) protein concentration: 3.5 mg/ml, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 279K