1Q1W

Crystal Structure of Putidaredoxin Reductase from Pseudomonas putida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	200
Detector technology	IMAGE PLATE
Collection date	2001-05-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	70.040, 104.327, 166.602
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.600
Rwork	0.203
R-free	0.23800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q1r
RMSD bond length	0.006 *
RMSD bond angle	1.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.077	0.561
Number of reflections	37470 *
<I/σ(I)>	12	2
Completeness [%]	97.1 *	91.3 *
Redundancy	3.6	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	lithium sulfate, lithium acetate, lithium formate, bis-tris propane, glycerol, dithiothreitol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25-30 (mg/ml)
2	1	drop	sodium phosphate	10 (mM)	pH8.0
3	1	reservoir	lithium sulfate	1.5 (M)
4	1	reservoir	lithium acetate	0.15 (M)
5	1	reservoir	lithium formate	0.1 (M)
6	1	reservoir	glycerol	2 (%(v/v))
7	1	reservoir	dithiothreitol	1 (mM)
8	1	reservoir	Tris-propane	0.1 (M)	pH8.0