6JBZ

Structural analysis of molybdopterin synthases from two mycobacteria pathogens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97860
Spacegroup name	P 43 21 2
Unit cell lengths	114.076, 114.076, 121.369
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.030 - 2.603
R-factor	0.2084
Rwork	0.206
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qie
RMSD bond length	0.008
RMSD bond angle	1.048
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.680
High resolution limit [Å]	2.600	2.600
Rmerge	0.187	0.650
Rpim	0.038
Number of reflections	24895	1993
<I/σ(I)>	16.8	4.7
Completeness [%]	98.8	98.2
Redundancy	25	24.5
CC(1/2)		0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Sodium chloride,BIS-TRIS,Ammonium sulfate