1GDN

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]	100
Detector technology	AREA DETECTOR
Collection date	1996-03-02
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	33.156, 36.763, 39.616
Unit cell angles	102.19, 104.70, 102.91

Refinement procedure

Resolution	20.000 - 0.810
R-factor	0.1083
Rwork	0.108
RMSD bond length	0.016 *
RMSD bond angle	0.036 *
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]	20.000	0.820
High resolution limit [Å]	0.810	0.810
Rmerge	0.030	0.267
Total number of observations	700099 *
Number of reflections	156398 *
<I/σ(I)>	1.8
Completeness [%]	90.9	81.9
Redundancy	4.5	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 292K

Crystallization Reagents in Literatures

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