4BOK

Crystal structure of Bacillus circulans TN-31 Aman6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	50.948, 65.093, 90.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.120 - 2.047
R-factor	0.1727
Rwork	0.170
R-free	0.21210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.003
RMSD bond angle	0.679
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000
High resolution limit [Å]	2.000	2.000
Rmerge	0.120	0.450
Number of reflections	19462
<I/σ(I)>	18.8	6.1
Completeness [%]	99.7	97.1
Redundancy	12.2	11.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1