7ENY

Crystal structure of hydroxysteroid dehydrogenase from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-04-16
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	58.829, 100.188, 160.219
Unit cell angles	90.00, 95.57, 90.00

Refinement procedure

Resolution	38.093 - 2.703
Rwork	0.198
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fmc
RMSD bond length	0.008
RMSD bond angle	1.579
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Number of reflections	50045	2487
<I/σ(I)>	16.7
Completeness [%]	98.7
Redundancy	3.6
CC(1/2)	0.980	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		294	0.1 M HEPES:NaOH pH 7.5, 20% (w/v) PEG 4000, and 10% (v/v) 2-propanol