1X9D

Crystal Structure Of Human Class I alpha-1,2-Mannosidase In Complex With Thio-Disaccharide Substrate Analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.99985
Spacegroup name	P 1
Unit cell lengths	50.687, 53.878, 56.234
Unit cell angles	89.49, 63.60, 62.61

Refinement procedure

Resolution	48.800 - 1.410
R-factor	0.14598
Rwork	0.144
R-free	0.16200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fmi
RMSD bond length	0.014
RMSD bond angle	1.337
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	REFMAC (refmac_5.2.0003)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.460
High resolution limit [Å]	1.410	3.040	1.410
Rmerge	0.102	0.098	0.129
Total number of observations		8274	8225
Number of reflections	84600
Completeness [%]	95.5	93.3	93.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	298	24% PEG 4000, 50mM ammonium sulfate, 0.1M MES, 10% 1,4-butanediol, pH 6.5, vapor diffusion, temperature 298K