5H06

Crystal structure of AmyP in complex with maltose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	79.870, 130.532, 217.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.935 - 1.950
R-factor	0.1659
Rwork	0.164
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h05
RMSD bond length	0.006
RMSD bond angle	0.822
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155: ???)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.109	0.043	0.474
Rmeas	0.122
Rpim	0.053
Total number of observations	721686
Number of reflections	145235
<I/σ(I)>	8.8
Completeness [%]	87.6	99.7	85
Redundancy	5	6	5.2
CC(1/2)		0.998	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	0.1M Tris-HCl (pH 8.5), 0.2M sodium acetate, 30% (w/v) PEG 4000