3BDK

Crystal Structure of Streptococcus suis mannonate dehydratase complexed with substrate analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	105.468, 105.468, 160.155
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.270 - 2.500
R-factor	0.25283
Rwork	0.250
R-free	0.30287
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vl8
RMSD bond length	0.012
RMSD bond angle	1.450
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.063	0.509
Number of reflections	31751
<I/σ(I)>	39.9	2.98
Redundancy	13.3	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION			EVAPORATION