6BFP

Bovine trypsin bound to potent inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.127131
Spacegroup name	P 21 21 21
Unit cell lengths	54.510, 58.330, 66.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.411 - 1.292
R-factor	0.1296
Rwork	0.129
R-free	0.14130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xoj
RMSD bond length	0.008
RMSD bond angle	1.283
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.410	1.360
High resolution limit [Å]	1.290	1.290
Rmerge	0.048	0.147
Rpim	0.025	0.079
Number of reflections	53667	7780
<I/σ(I)>	17.7	8.7
Completeness [%]	99.0	100
Redundancy	4.5	4.3
CC(1/2)	0.998	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	296	0.1 M Tris pH 8.0 31 % PEG 10,000