4PMH

The structure of rice weevil pectin methyl esterase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2000-05-26
Detector	CUSTOM-MADE
Spacegroup name	C 2 2 21
Unit cell lengths	37.429, 73.939, 204.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.000 - 1.790
R-factor	0.1756
Rwork	0.173
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.290
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	99.000	99.000	1.850
High resolution limit [Å]	1.790	3.850	1.790
Rmerge	0.085	0.066	0.296
Total number of observations	95040
Number of reflections	23540
<I/σ(I)>	5.8
Completeness [%]	85.6	98.1	50.7
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	unknown