7ZQQ

Molybdenum storage protein - LB131H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.214
Spacegroup name	P 63 2 2
Unit cell lengths	115.040, 115.040, 234.410
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.845 - 1.750
R-factor	0.2072
Rwork	0.206
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ndo
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.845	45.845	1.850
High resolution limit [Å]	1.750	12.000	1.750
Rmerge	0.104	0.073	0.939
Rmeas	0.123	0.089	1.116
Total number of observations	599725
Number of reflections	173868	472	26755
<I/σ(I)>	7.96	15.87	1.87
Completeness [%]	99.3	84.6	99.5
Redundancy	3.449	3.068	3.31
CC(1/2)	0.991	0.981	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	293	0.1 M sodium citrate, pH 5.6, 0.7 M NH4H2PO4