4ITB

Structure of bacterial enzyme in complex with cofactor and substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Wavelength(s)	0.97948
Spacegroup name	P 21 21 21
Unit cell lengths	43.003, 115.434, 180.102
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.947 - 1.400
R-factor	0.1744
Rwork	0.174
R-free	0.18990
Structure solution method	Soaking
RMSD bond length	0.006
RMSD bond angle	1.123
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	0.105	0.062	0.458
Number of reflections	177093
<I/σ(I)>	5.7
Completeness [%]	99.9	99.2	100
Redundancy	14.5	13.9	14.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1