1GCI

THE 0.78 ANGSTROMS STRUCTURE OF A SERINE PROTEASE-BACILLUS LENTUS SUBTILISIN

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-06-10
Detector	MAR scanner 300 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	52.650, 61.250, 74.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 0.780
R-factor	0.0993
R-free	0.10260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jea
RMSD bond length	0.012
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	0.820
High resolution limit [Å]	0.780	0.780
Rmerge	0.036	0.290
Total number of observations	795681 *
Number of reflections	257583
<I/σ(I)>	5.8	2.6
Completeness [%]	97.3	92.7
Redundancy	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.9	37 *	FREE TEXT GOES HERE., pH 5.9

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	drop	sodium acetate	50 (mM)
3	1	drop		10 (mM)
4	1	drop	inhibitor
5	1	reservoir	ammonium sulfate	30-33 (%sat)