4ZFC

Crystal structure of AKR1C3 complexed with glicazide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-29
Detector	OXFORD ONYX CCD
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	47.652, 49.156, 83.476
Unit cell angles	74.52, 86.84, 69.09

Refinement procedure

Resolution	80.368 - 2.000
R-factor	0.17508
Rwork	0.173
R-free	0.21757
RMSD bond length	0.018
RMSD bond angle	1.938
Data scaling software	SCALA (3.3.21)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.368	2.110
High resolution limit [Å]	2.000	2.000
Rmerge		0.516
Number of reflections	46034
<I/σ(I)>	11.2	0.8
Completeness [%]	100.0	100
Redundancy	5.3	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	289	15%-20% PEG8000, 100mM MES, 0.14M NaCl