1H4E

Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis protein MobA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-30
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	76.224, 41.752, 54.514
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.230 - 1.650
Rwork	0.185
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e5k
RMSD bond length	0.020
RMSD bond angle	1.898
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.690
High resolution limit [Å]	1.650	1.650
Rmerge	0.060	0.186
Number of reflections	21570
<I/σ(I)>	19	6.2
Completeness [%]	99.8	99.9
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	Stevenson, C.E., (2000) Structure, 8, 1115. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	reservoir	isopropanol	20 (%(v/v))
3	1	reservoir	PEG1500	2 (%(w/v))
4	1	reservoir	citric acid	100 (%(w/v))