1GA6

CRYSTAL STRUCTURE ANALYSIS OF PSCP (PSEUDOMONAS SERINE-CARBOXYL PROTEINASE) COMPLEXED WITH A FRAGMENT OF TYROSTATIN (THIS ENZYME RENAMED "SEDOLISIN" IN 2003)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-03
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98
Spacegroup name	P 62
Unit cell lengths	97.400, 97.400, 83.350
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 1.000
R-factor	0.0994
Rwork	0.123
R-free	0.13080
Structure solution method	ISOMORPHOUS WITH 1GA1
Starting model (for MR)	1ga1
RMSD bond length	0.015
RMSD bond angle	0.030
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.040
High resolution limit [Å]	1.000	1.000
Rmerge	0.054	0.477
Total number of observations	2554920 *
Number of reflections	202008
<I/σ(I)>	38.7	4.7
Completeness [%]	84.0	100 *
Redundancy	10.6	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8 *	293	5% guanidine, 7% glycerol, 5% methanol, 1.0 M ammonium sulfate, 0.1 M sodium citrate buffer pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	sodium chloride	0.1 (M)
3	1	drop	calcium chloride	5 (mm)
4	1	drop	sodium acetate	50 (mM)
5	1	reservoir	lithium sulfate	1.4 (M)
6	1	reservoir	Tris	0.1 (M)