1Q25

Crystal structure of N-terminal 3 domains of CI-MPR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	128
Detector technology	CCD
Collection date	2002-08-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.900
Spacegroup name	P 21 21 21
Unit cell lengths	61.157, 84.746, 96.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.940 - 1.800
Rwork	0.235
R-free	0.28300
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.940	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.045
Number of reflections	51090
Completeness [%]	86.1	29.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.35	292	25% PEG 4000, 0.1M sodium cacodylate,150 MM NACL, 50 mM IMIDAZOLE (PH=6.5), 10 MM MANGANESE CHLORIDE, 5 MM BETA-GLYCEROPHOSPHATE, 10mM mannose 6-phosphate, pH 6.35, VAPOR DIFFUSION, SITTING DROP, temperature 292K