7CAZ

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	2019-10-31
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	78.611, 100.039, 120.169
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.909 - 1.790
R-factor	0.2078
Rwork	0.207
R-free	0.22870
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]	19.909	19.909	1.900
High resolution limit [Å]	1.790	5.210	1.790
Rmerge	0.073	0.041	0.561
Rmeas	0.082	0.046	0.670
Number of reflections	166939	3602	13429
<I/σ(I)>	13.62	33.54	2.07
Completeness [%]	98.2	91.8	94.5
Redundancy	4.618	4.674	3.09
CC(1/2)	0.998	0.996	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	290	0.2M sodium formate, 20% PEG 3350