4JS7

Crystal structure of D78N mutant apo form of clavibacter michiganensis expansin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2012-08-01
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	35.758, 69.556, 81.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.334 - 2.101
R-factor	0.1548
Rwork	0.152
R-free	0.17650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jjo
RMSD bond length	0.003
RMSD bond angle	0.799
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]	25.000	25.000	2.140
High resolution limit [Å]	2.100	5.680	2.100
Rmerge	0.038		0.064
Number of reflections	12259
Completeness [%]	99.1	93.8	97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	294	0.2M Lithium sulfate, .1M bis-tris, 25%PEG3350 , pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K