1OMJ

CRYSTAL STRUCTURE OF A PSYCHROPHILIC ALKALINE PROTEASE FROM PSEUDOMONAS TAC II 18

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM02
Synchrotron site	ESRF
Beamline	BM02
Temperature [K]	100
Detector technology	CCD
Collection date	1997-09-05
Detector	THOMSON/PRINCETON
Wavelength(s)	1.07
Spacegroup name	H 3
Unit cell lengths	184.600, 184.600, 37.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.380
R-factor	0.207
Rwork	0.195
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kap
RMSD bond length	0.009
RMSD bond angle	1.440
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.600	2.510
High resolution limit [Å]	2.380	2.380
Rmerge	0.040 *	0.128 *
Total number of observations	32163 *
Number of reflections	17980
<I/σ(I)>		5.7
Completeness [%]	93.2	59
Redundancy	1.8	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	16 *	PEG 4000, ammonium sulphate, sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	0.2 (M)
2	1	reservoir	PEG4000	22 (%)
3	1	reservoir	sodium acetate	0.1 (M)	pH4.6