5J4Q

alpha-chymotrypsin from bovine pancreas in complex with Bowman-Birk inhibitor from soybean

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-11
Detector	MARRESEARCH
Wavelength(s)	1.54179
Spacegroup name	P 21 21 2
Unit cell lengths	76.163, 79.280, 51.529
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.568 - 2.303
R-factor	0.2129
Rwork	0.210
R-free	0.26730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gl0 1k9b
RMSD bond length	0.009
RMSD bond angle	1.174
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.568	2.386
High resolution limit [Å]	2.303	2.303
Rmerge	0.099	0.736
Number of reflections	14141
<I/σ(I)>	12.9	1.82
Completeness [%]	98.0	100
Redundancy	4.1	4
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	12%(w/v) PEG 20000, 0.1M MES, pH6.5