2QN4

Structure and function study of rice bifunctional alpha-amylase/subtilisin inhibitor from Oryza sativa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-06
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	79.988, 62.949, 66.696
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.800
Rwork	0.206
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ava
RMSD bond length	0.015
RMSD bond angle	1.570
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge		0.269
Number of reflections	31823
<I/σ(I)>	22.5654	5.25
Completeness [%]	99.5	99.9
Redundancy	4.7	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.7	293	20% PEG3350, 0.2M Potassium dihydrogen phosphate, pH4.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K