6JC0

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	2016-06-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97860
Spacegroup name	P 1 21 1
Unit cell lengths	62.763, 57.599, 66.577
Unit cell angles	90.00, 99.29, 90.00

Refinement procedure

Resolution	49.208 - 2.100
R-factor	0.1925
Rwork	0.190
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jbz
RMSD bond length	0.004
RMSD bond angle	0.735
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.092	0.393
Rmeas	0.101	0.427
Rpim	0.041	0.165
Number of reflections	27904	1342
<I/σ(I)>	16.8	4.3
Completeness [%]	99.4	96.4
Redundancy	6.3	6
CC(1/2)		0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.1	293	Ammonium citrate dibasic, Polyethylene glycol 3,350