5A5J

Cytochrome 2C9 P450 inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	100
Spacegroup name	H 3
Unit cell lengths	91.290, 91.290, 169.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	71.740 - 2.900
R-factor	0.21655
Rwork	0.213
R-free	0.28792
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.496
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.000
High resolution limit [Å]	2.900
Rmerge	0.100
Number of reflections	11653
<I/σ(I)>	7.7
Completeness [%]	99.8
Redundancy	3.12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1