6M8Y

PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR AIPF

Replaces:  1KDY

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	2001-05-21
Detector	ADSC QUANTUM 4
Wavelength(s)	0.92
Spacegroup name	P 62
Unit cell lengths	97.290, 97.290, 83.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.100
R-factor	0.1322
Rwork	0.132
R-free	0.15700
Starting model (for MR)	1ga6
RMSD bond length	0.015
RMSD bond angle	1.080
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.140
High resolution limit [Å]	1.100	1.100
Rmerge	0.054	0.474
Number of reflections	181161	18060
<I/σ(I)>	14.9
Completeness [%]	100.0	100
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	Ammonium sulfate, glycerol, guanidine hydrochloride