3O69

Structure of the E100A 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	CCD
Collection date	2009-08-18
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	60.379, 69.260, 98.554
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.810 - 2.100
R-factor	0.2084
Rwork	0.205
R-free	0.27960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o52
RMSD bond length	0.011
RMSD bond angle	1.262
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]	22.810	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.089	0.049	0.331
Number of reflections	23871
<I/σ(I)>	12.8
Completeness [%]	96.0	98.4	75.1
Redundancy	5.6	5.8	3.3

Crystallization Conditions

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