6M9C

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

Replaces:  1KE1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-07-08
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 62
Unit cell lengths	98.270, 98.270, 83.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.1628
Rwork	0.163
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ga6
RMSD bond length	0.007
RMSD bond angle	0.023
Data reduction software	DENZO
Data scaling software	HKL-2000
Refinement software	SHELXL (2018/3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge		0.282
Number of reflections	41476	2099
<I/σ(I)>	39
Completeness [%]	98.0	99.1
Redundancy	4.95	4.8

Crystallization Conditions

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