4JEQ

Different Contribution of Conserved Amino Acids to the Global Properties of Homologous Enzymes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	OTHER
Temperature [K]	113
Detector technology	CCD
Collection date	2010-07-28
Detector	MARRESEARCH
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	88.087, 89.782, 181.718
Unit cell angles	90.00, 101.61, 90.00

Refinement procedure

Resolution	61.577 - 2.303
R-factor	0.2099
Rwork	0.207
R-free	0.26140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j27
RMSD bond length	0.009
RMSD bond angle	1.129
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1307))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.780	2.447	2.329
High resolution limit [Å]	2.300	2.415	2.303
Rmerge	0.089
Number of reflections	122434
<I/σ(I)>	8.1
Completeness [%]	99.6	100	94
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.6	281.15	25% w/v PEG monomethyl ether 2000, 0.1 M Tris, 0.01 M Nickel (II) chloride hexahydrate, 5% w/v n-dodecyl-N,N-dimethylamin-N-oxide , pH 8.6, VAPOR DIFFUSION, SITTING DROP, temperature 281.15K