1JQ5

Bacillus Stearothermophilus Glycerol dehydrogenase complex with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	290
Detector technology	CCD
Collection date	1999-11-29
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	I 4 2 2
Unit cell lengths	104.660, 104.660, 148.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.700
R-factor	0.151 *
Rwork	0.151
R-free	0.19030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jpu
RMSD bond length	0.013
RMSD bond angle	21.267 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.047	0.376
Total number of observations	196167 *
Number of reflections	42016
<I/σ(I)>	19.9	2.7
Completeness [%]	92.1	78.6
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	Burke, J., (2001) Acta Crystallogr., Sect.D, 57, 165. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	ammonium sulfate	0.5-2.0 (M)
3	1	reservoir	PEG400	2-6 (%)
4	1	reservoir		0.020 (mM)