8BYR

Crystal structure of MoaB2 protein from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-09
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	91.295, 105.560, 106.913
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.690 - 2.530
R-factor	0.19547
Rwork	0.192
R-free	0.26040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rfq
RMSD bond length	0.007
RMSD bond angle	1.485
Data reduction software	XDS (XDS-GUI (GPL V2))
Data scaling software	Aimless (Version 0.7.4)
Phasing software	MOLREP (Version 11.0 /22.07.2010/)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.690	2.640
High resolution limit [Å]	2.530	2.530
Rmerge	0.136	0.868
Rmeas	0.141	0.902
Rpim	0.038	0.242
Total number of observations	470613	56564
Number of reflections	35068	4206
<I/σ(I)>	15	3.4
Completeness [%]	99.9
Redundancy	13.4	13.4
CC(1/2)	0.999	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.2M calcium chloride, 14% w/v PEG 400, 0.1M sodium-HEPES (pH 7.5)