1NWP

CRYSTALLOGRAPHIC STUDY OF AZURIN FROM PSEUDOMONAS PUTIDA

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1992-04
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 1 21 1
Unit cell lengths	40.760, 51.220, 54.960
Unit cell angles	90.00, 103.12, 90.00

Refinement procedure

Resolution	10.000 - 1.600
R-factor	0.181
Rwork	0.181
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AZURIN FROM ALCALIGENES DENITRIFICANS (ENTRY NO. 2AZA)
RMSD bond length	0.007
RMSD bond angle	26.900 *
Data reduction software	SOFTWARE (FROM HAMLIN MULTIWIRE AREA DETECTOR)
Data scaling software	HAMLIN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.720
High resolution limit [Å]	1.600	1.600
Rmerge	0.055	0.218
Total number of observations	241088 *
Number of reflections	27846
<I/σ(I)>	10.7	1.9
Completeness [%]	95.4	78
Redundancy	8.7	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	HANGING DROP METHOD AT 4 C BY MIXING 5 MICROLITER PROTEIN AT 10- 15MG PER ML WITH PEG8000 SOLUTION CONTAINING 5MM TRIS-HCL BUFFER, PH 5 MICROLITER 30-36% 6.5-7.5 ,100MM NACL AND 180MM ZINC ACETATE., pH 7.0, vapor diffusion - hanging drop, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-7.5 (mg/ml)
2	1	drop	PEG8000	15-18 (%)
3	1	drop	Tris-HCl	2.5 (mM)
4	1	drop		50 (mM)
5	1	reservoir	PEG8000	30-36 (%)
6	1	reservoir	Tris-HCl	5 (mM)
7	1	reservoir		100 (mM)
8	1	reservoir	zinc acetate	180 (mM)