8HWN

aldo-keto reductase DepB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 21 2 21
Unit cell lengths	83.200, 98.288, 174.785
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.720 - 2.700
R-factor	0.2385
Rwork	0.235
R-free	0.30630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.209
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.720	2.796
High resolution limit [Å]	2.700	2.700
Number of reflections	40139	3953
<I/σ(I)>	21
Completeness [%]	99.8
Redundancy	13
CC(1/2)	0.999	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	NaCl