4AD5

Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with glucose-1,3-deoxymannojirimycin and alpha-1,2-mannobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2011-05-31
Detector	MARRESEARCH
Spacegroup name	I 4
Unit cell lengths	108.844, 108.844, 67.762
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.530 - 1.900
R-factor	0.16052
Rwork	0.158
R-free	0.20530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PREVIOUSLY SOLVED STRUCTURE OF CLOSELY RELATED HOMOLOG
RMSD bond length	0.011
RMSD bond angle	1.207
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0086)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.060	0.230
Number of reflections	31280
<I/σ(I)>	19.5	7.1
Completeness [%]	100.0	100
Redundancy	6.1	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		0.1 M SODIUM ACETATE PH 4.9, 20% W/V PEG 2000 MME, 1.6% PGA-LM (POLY-GAMMA-GLUTAMIC ACID LOW MOLECULAR WEIGHT)