4ITA

Structure of bacterial enzyme in complex with cofactor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	OTHER
Wavelength(s)	0.97948
Spacegroup name	P 21 21 21
Unit cell lengths	42.911, 115.519, 180.105
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.743 - 1.400
R-factor	0.1747
Rwork	0.174
R-free	0.18690
Structure solution method	Soaking data
RMSD bond length	0.006
RMSD bond angle	1.132
Data reduction software	DENZO
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	1.450
High resolution limit [Å]	1.400	3.020	1.400
Rmerge	0.110	0.060	0.492
Number of reflections	176565
<I/σ(I)>	5.4
Completeness [%]	99.7	97.8	99.6
Redundancy	13.9	13.7	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1