3O6Z

Structure of the D152A E.coli GDP-mannose hydrolase (yffh) in complex with Mg++

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ DW
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-07-30
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	58.916, 69.333, 99.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.470 - 2.050
R-factor	0.2383
Rwork	0.235
R-free	0.30330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o52
RMSD bond length	0.014
RMSD bond angle	1.438
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.470	50.000	2.100
High resolution limit [Å]	2.030	4.370	2.030
Rmerge	0.077	0.053	0.374
Number of reflections	26521
<I/σ(I)>	16.6
Completeness [%]	98.0	93.1	98.1
Redundancy	6.1	5.2	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	20-26% PEG 3350, 0.2 M MgCl2, 0.1 M Tris pH 8.5, 4 mM GDP-mannose at a ratio of 1:1 protein:reservoir, VAPOR DIFFUSION, HANGING DROP, temperature 291K