5KWM

S. erythraea trypsin long construct apoenzyme

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	2015-03-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.8266
Spacegroup name	P 21 21 21
Unit cell lengths	46.851, 61.122, 74.151
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.164 - 0.777
R-factor	0.1294
Rwork	0.129
R-free	0.13720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m7g
RMSD bond length	0.008
RMSD bond angle	1.063
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_2471: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	0.790
High resolution limit [Å]	0.777	0.777
Rmerge	0.057	0.071
Number of reflections	197513
<I/σ(I)>	15.6	0.6
Completeness [%]	74.1	6.4
Redundancy	6.5	2.1
CC(1/2)	0.997	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	311	100 mM HEPES, pH 8.1, 2.31 M ammonium sulfate