1A7A

STRUCTURE OF HUMAN PLACENTAL S-ADENOSYLHOMOCYSTEINE HYDROLASE: DETERMINATION OF A 30 SELENIUM ATOM SUBSTRUCTURE FROM DATA AT A SINGLE WAVELENGTH

Experimental procedure

Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	1997-07
Detector	BRANDEIS
Spacegroup name	C 2 2 2
Unit cell lengths	91.930, 168.020, 137.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.227
Rwork	0.227
R-free	0.24700
Structure solution method	SAS
RMSD bond length	0.008
RMSD bond angle	21.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHAKE-N-BAKE (V. 2.0)
Refinement software	CNS (0.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.074
Total number of observations	350530 *
Number of reflections	50613
<I/σ(I)>	11.5
Completeness [%]	99.5	99.5
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.6		pH 5.6