4JCW

Crystal structure of Clavibacter michiganensis expansin in complex with cellopentaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2012-04-11
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	35.936, 43.212, 64.300
Unit cell angles	88.75, 81.29, 82.70

Refinement procedure

Resolution	22.928 - 1.750
R-factor	0.1757
Rwork	0.173
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d30
RMSD bond length	0.007
RMSD bond angle	1.201
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.000	175.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.074	0.055	0.141
Number of reflections	33239
Completeness [%]	91.2	92.1	79.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	294	0.05M Ammonium Sulfate, 0.1M Sodium citrate, 15% PEG8000 , pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 294K