5F2C

Thermostable aldehyde dehydrogenase from Pyrobaculum sp. 1860 crystallized in microgravity (complex with NADP+)

Replaces:  4NMK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8
Spacegroup name	P 21 21 2
Unit cell lengths	185.356, 208.296, 163.811
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.145 - 1.898
R-factor	0.1854
Rwork	0.184
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h73
RMSD bond length	0.008
RMSD bond angle	1.023
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.145	1.919
High resolution limit [Å]	1.898	1.898
Rmerge	0.067
Number of reflections	493450
<I/σ(I)>	23
Completeness [%]	87.6	22
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	Crystallization details 50 mM HEPES pH 7.5; 50 mM NaCl; 100 mM Imidazole pH 6.5; 1.6M Sodium acetate trihydrate. The crystal was grown in a microgravity environment.