5Z2L

Crystal structure of BdcA in complex with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2015-05-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97845
Spacegroup name	P 1
Unit cell lengths	65.833, 72.280, 172.324
Unit cell angles	99.22, 86.78, 107.70

Refinement procedure

Resolution	43.725 - 1.700
R-factor	0.1513
Rwork	0.151
R-free	0.17890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pcv
RMSD bond length	0.008
RMSD bond angle	1.094
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.200	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.067	0.477
Number of reflections	312158	15390
<I/σ(I)>	15.8	3.7
Completeness [%]	95.0	94.1
Redundancy	7.2	7.3
CC(1/2)	0.999	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	295	0.1M Bis-Tris propane pH 9.0, 30%(w/v) Polyethylene glycol 6,000