4P6P

Structure of ribB complexed with inhibitor (4PEH) and metal ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-06-27
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	52.079, 76.805, 97.634
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.716 - 1.862
R-factor	0.1466
Rwork	0.144
R-free	0.19090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p6c
RMSD bond length	0.007
RMSD bond angle	1.052
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1615))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.970
High resolution limit [Å]	1.860	1.860
Rmerge	0.071	0.314
Number of reflections	33367
<I/σ(I)>	25.3	6.8
Completeness [%]	99.6	98.2
Redundancy	8.2	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.1	293	PEG3350, Na2HPO4