6M9D

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

Replaces:  1KE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-06-11
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 62
Unit cell lengths	98.570, 98.570, 83.390
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.1883
Rwork	0.188
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ga6
RMSD bond length	0.005
RMSD bond angle	0.021
Data reduction software	DENZO
Data scaling software	HKL-2000
Refinement software	SHELX (2018/3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.030
High resolution limit [Å]	2.000	5.420	2.000
Rmerge	0.073	0.031	0.396
Number of reflections	28260	1343	1442
<I/σ(I)>	8.3
Completeness [%]	92.4	85.1	93
Redundancy	3.6		3.35

Crystallization Conditions

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