4IT9

Structure of Bacterial Enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	OTHER
Wavelength(s)	0.97935
Spacegroup name	P 21 21 21
Unit cell lengths	42.779, 115.340, 179.267
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.141 - 1.700
R-factor	0.1838
Rwork	0.183
R-free	0.20590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.100
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.174	0.113	0.589
Number of reflections	98424
<I/σ(I)>	3.8
Completeness [%]	99.5	97.4	99.4
Redundancy	14.3	12.3	14.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1