5GIB

Succinic acid bound trypsin crystallized as dimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-08-12
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	53.290, 58.260, 136.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.582 - 2.697
R-factor	0.2348
Rwork	0.229
R-free	0.28560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i8h
RMSD bond length	0.002
RMSD bond angle	0.603
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall
Low resolution limit [Å]	68.280
High resolution limit [Å]	2.670
Rmerge	0.163
Number of reflections	11637
<I/σ(I)>	5.6
Completeness [%]	92.6
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	15% PEG3350, 0.1 M Sodium acetate, 0.1 M Succinic acid