3K43

Crystal structure of sCD-MPR mutant E19Q/K137M pH 6.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	98
Detector technology	IMAGE PLATE
Collection date	2009-04-15
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	I 4
Unit cell lengths	102.978, 102.978, 99.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.460 - 2.000
Rwork	0.165
R-free	0.19900
Structure solution method	difference fourier
Starting model (for MR)	3k42
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.068	0.035	0.413
Number of reflections	35223
<I/σ(I)>	15.2
Completeness [%]	99.7	97.9	100
Redundancy	5.7	5.9	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	0.1M sodium cacodylate, 3M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K