7NCC

Crystal structure of fructose-bisphosphate aldolase FBAP from Bacillus methanolicus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-28
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	91.582, 122.121, 160.963
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.080 - 2.000
R-factor	0.1896
Rwork	0.186
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q94
RMSD bond length	0.014
RMSD bond angle	1.945
Data reduction software	HKL-2000
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.790	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	60641	4427
<I/σ(I)>	11.7
Completeness [%]	99.3
Redundancy	13.4
CC(1/2)	0.999	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		280	20 % PEG 4000, 0.2M imidazole/malate buffer at pH 6