4CMR

The crystal structure of novel exo-type maltose-forming amylase(Py04_0872) from Pyrococcus sp. ST04

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	291
Detector technology	CCD
Collection date	2013-06-04
Detector	ADSC CCD
Spacegroup name	C 2 2 21
Unit cell lengths	117.639, 370.794, 82.135
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.130 - 1.800
R-factor	0.1981
Rwork	0.198
R-free	0.22540
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.008
RMSD bond angle	1.077
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.800
High resolution limit [Å]	1.770	1.770
Rmerge	0.077	0.498
Number of reflections	164426
<I/σ(I)>	52.6	6.7
Completeness [%]	99.1	97.4
Redundancy	12.8	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	1.0M AMMONIUM CITRATE DIBASIC, 0.8M SODIUM ACETATE TRIHYDRATE PH4.6