1HJA

LYS 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH ALPHA-CHYMOTRYPSIN

Experimental procedure

Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1996-11-04
Detector	SIEMENS
Spacegroup name	P 61
Unit cell lengths	103.470, 103.470, 47.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.300
R-factor	0.193
Rwork	0.193
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cho
RMSD bond length	0.008
RMSD bond angle	1.536
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.843)
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.108
Number of reflections	11136
<I/σ(I)>	5.89
Completeness [%]	86.9	69.27
Redundancy	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		0.1 M KH2PO4/K2HPO4 PH=6.0 10% PEG6000