7DLM

Short chain dehydrogenase (SCR) crystal structure with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-20
Detector	ADSC HF-4M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	69.678, 114.895, 126.129
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.990 - 1.590
R-factor	0.167
Rwork	0.166
R-free	0.19050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ctm
RMSD bond length	0.011
RMSD bond angle	1.944
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000	1.630
High resolution limit [Å]	1.590	1.590
Number of reflections	67312	4630
<I/σ(I)>	19.6
Completeness [%]	99.1
Redundancy	9.3
CC(1/2)	0.999	0.696

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	293.15	200 mM Ammonium Chloride, 20% PEG 3350, pH 7.0