1O2D

Crystal structure of Alcohol dehydrogenase, iron-containing (TM0920) from Thermotoga maritima at 1.30 A resolution

Replaces:  1J5R

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-29
Detector	ADSC QUANTUM 315
Spacegroup name	P 1 21 1
Unit cell lengths	58.047, 85.283, 72.080
Unit cell angles	90.00, 96.29, 90.00

Refinement procedure

Resolution	72.000 * - 1.300
R-factor	0.139
Rwork	0.137
R-free	0.17000
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.530 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.1.955)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.000 *	1.370
High resolution limit [Å]	1.300	1.300
Rmerge	0.076 *	0.585 *
Total number of observations	542582 *
Number of reflections	167354 *
<I/σ(I)>	10.5	1.7
Completeness [%]	97.9	99.1
Redundancy	3.2	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.5 *	277	20% PEG-300, 10% glycerol, 0.1M Tris pH 8.5 5% (w/v) PEG-8000, pH 8.7, VAPOR DIFFUSION,SITTING DROP,NANODROP, pH 8.70, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG300	20 (%)
2	1	reservoir	PEG8000	5 (%(w/v))
3	1	reservoir	glycerol	10 (%)
4	1	reservoir	Tris-HCl	0.1 (M)	pH8.5