1GDU

FUSARIUM OXYSPORUM TRYPSIN AT ATOMIC RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	283
Detector technology	AREA DETECTOR
Collection date	1993-12-05
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	33.290, 37.050, 40.259
Unit cell angles	102.46, 103.81, 102.07

Refinement procedure

Resolution	15.000 - 1.070
R-factor	0.1036
Rwork	0.104
RMSD bond length	0.015
RMSD bond angle	0.031
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.090
High resolution limit [Å]	1.070	1.070
Rmerge	0.083	0.083
Total number of observations	297606 *
Number of reflections	70387 *
<I/σ(I)>	6.8
Completeness [%]	92.8	87.6
Redundancy	4.2	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	292	sodium sulphate, sodium citrate, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 19K
1	VAPOR DIFFUSION, SITTING DROP	6	292	sodium sulphate, sodium citrate, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 19K
1	VAPOR DIFFUSION, SITTING DROP	6	292	sodium sulphate, sodium citrate, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 19K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	boric acid	100 (mM)
2	1	drop		2 (mM)
3	1	drop		100 (mM)
4	1	drop	3,3-dimethyl glutaric acid	10 (mM)
5	1	drop	protein	25 (mg/ml)
6	1	reservoir		1.4 (M)
7	1	reservoir	sodium citrate	0.1 (M)
8	1	reservoir	2-propanol	0-5 (%)