6Y5T

Crystal structure of savinase at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	297
Detector technology	PIXEL
Collection date	2014-07-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.88560
Spacegroup name	P 21 21 21
Unit cell lengths	47.704, 62.205, 75.766
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.370 - 1.100
R-factor	0.1314
Rwork	0.130
R-free	0.14980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cfy
RMSD bond length	0.006
RMSD bond angle	0.848
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.080	1.110
High resolution limit [Å]	1.100	1.100
Rmerge	0.070	1.341
Number of reflections	91686	4525
<I/σ(I)>	19.8
Completeness [%]	99.7
Redundancy	4.9
CC(1/2)	0.998	0.502

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	0.2 M NaBr, 0.1 M Bis Tris propane, 20% PEG3350