8ZRZ

The 1.26 angstrom resolution structure of Bacillus cereus beta-amylase in complex with maltose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-25
Detector	ADSC QUANTUM 4r
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	56.974, 89.843, 66.035
Unit cell angles	90.00, 103.09, 90.00

Refinement procedure

Resolution	10.000 - 1.260
Rwork	0.124
R-free	0.16450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	0.032
Data reduction software	HKL-2000 (v718)
Data scaling software	HKL-2000 (v718)
Phasing software	PHENIX (1.17.1-3660)
Refinement software	SHELXL-97 (2018/3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.280
High resolution limit [Å]	1.260	1.260
Rmerge	0.047	0.182
Rmeas	0.054	0.246
Number of reflections	171593	7029
<I/σ(I)>	48.5	5.95
Completeness [%]	99.3	80.5
Redundancy	3.3	1.7
CC(1/2)	0.995	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	HANGING DROP VAPOR DIFFUSION AGAINST 0.1 M PHOSPHATE BUFFER PH 6.5, 15% PEG 6000 AND 5% SATN. AMMONIUM SULFATE WITH A PROTEIN CONCENTRATION OF 15MG/ML.