3K41

Crystal structure of sCD-MPR mutant E19Q/K137M bound to Man-6-P

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	98
Detector technology	IMAGE PLATE
Collection date	2005-12-08
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	53.234, 77.112, 79.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.560 - 1.900
Rwork	0.216
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m6p
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.126	0.534
Number of reflections	26594
<I/σ(I)>	13
Completeness [%]	99.8	99.8
Redundancy	4.2	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	100 mM sodium cacodylate, pH 6.5;25% PEG 2000MME; 0.2M ammonium acetate; 0.025M OBG, VAPOR DIFFUSION, HANGING DROP, temperature 292K