5DKM

S. erythraea trypsin Michaelis-Menten complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.688
Spacegroup name	P 1 21 1
Unit cell lengths	42.072, 47.441, 53.471
Unit cell angles	90.00, 106.10, 90.00

Refinement procedure

Resolution	28.194 - 0.920
R-factor	0.1199
Rwork	0.119
R-free	0.12950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m7g
RMSD bond length	0.008
RMSD bond angle	1.067
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((dev_2328: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.910	0.890
High resolution limit [Å]	0.870	0.880
Rmerge	0.072	2.601
Number of reflections	159546
<I/σ(I)>	11.9	0.4
Completeness [%]	99.8	99.2
Redundancy	6.4	5.8
CC(1/2)	0.998	0.275

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	100 mM MES, pH 6.0, 36% PEG400, 100 mM BTP , 120 mM sodium chloride