2BJM

SPE7:Anthrone Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	I 4
Unit cell lengths	79.672, 79.672, 67.958
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.340 - 2.150
R-factor	0.269
Rwork	0.268
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	1.947
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.000	2.250
High resolution limit [Å]	2.100	2.100
Rmerge	0.060	0.210
Number of reflections	11647
<I/σ(I)>	11.4	4.4
Completeness [%]	99.0	97
Redundancy	3	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1