1ISI

Crystal Structure Analysis of BST-1/CD157 complexed with ethenoNAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL24XU
Synchrotron site	SPring-8
Beamline	BL24XU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-03-18
Detector	RIGAKU RAXIS IV
Wavelength(s)	0.836
Spacegroup name	P 21 21 21
Unit cell lengths	58.945, 112.740, 130.851
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.570 - 2.100
Rwork	0.219
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.053	0.244
Number of reflections	49467
<I/σ(I)>	4.8	30.3
Completeness [%]	95.7	88.3
Redundancy	30

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	ammonium sulfate, citrate, ethenoNAD, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K