4L48

Crystal structure of d78n mutant clavibacter michiganensis expansin in complex with cellohexaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2012-08-17
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	65.758, 34.555, 81.144
Unit cell angles	90.00, 95.57, 90.00

Refinement procedure

Resolution	22.371 - 2.100
R-factor	0.201
Rwork	0.195
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4js7
RMSD bond length	0.002
RMSD bond angle	0.630
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.060	0.050	0.117
Number of reflections	21474
<I/σ(I)>	17.09		7.3
Completeness [%]	98.7	93	93.5
Redundancy	2.5		2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	294	0.5M KCl, 12% PEG 8000, 10% glycerol, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K