4XCW

Crystal structure of molybdenum cofactor biosynthesis protein MogA from Helicobacter pylori str. J99

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-10-31
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	65.619, 66.018, 76.049
Unit cell angles	71.97, 86.42, 60.22

Refinement procedure

Resolution	24.774 - 1.800
R-factor	0.1644
Rwork	0.164
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qq1
RMSD bond length	0.005
RMSD bond angle	0.972
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX ((phenix.phaser))
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.040	0.596
Number of reflections	91170
<I/σ(I)>	36.98	2.67
Completeness [%]	94.1	90
Redundancy	3.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		310	25%PEG 3350. 0.2M calcium chloride dihydrate, 0.1 M Tris