7CAX

Crystal structure of bacterial reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-13
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	61.929, 90.018, 97.776
Unit cell angles	90.00, 92.68, 90.00

Refinement procedure

Resolution	39.234 - 1.846
R-factor	0.1729
Rwork	0.172
R-free	0.19870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7caw
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.234	39.234	1.960
High resolution limit [Å]	1.846	5.510	1.850
Rmerge	0.057	0.024	0.506
Rmeas	0.079	0.034	0.698
Number of reflections	174803	6626	28174
<I/σ(I)>	9.85	24.81	2.07
Completeness [%]	96.4	96.7	96.1
Redundancy	1.902	1.93	1.881
CC(1/2)	0.996	0.997	0.637

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.4	290	0.2 M potassium sodium tartrate, 20% (w/v) PEG 3350