9GC1

CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH COMPOUND8

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-03-20
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.541870
Spacegroup name	P 43
Unit cell lengths	74.098, 74.098, 49.509
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.663 - 1.987
Rwork	0.174
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.551
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.670	2.080
High resolution limit [Å]	1.970	1.970
Rmerge	0.120	0.510
Number of reflections	588899	17031
<I/σ(I)>	6.1598	1.57
Completeness [%]	92.2	71.04
Redundancy	10.31	8.67

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.01M ZnCl2, 0.1M TRIS at pH 8 and 20% PEG 6000