4CFY

SAVINASE CRYSTAL STRUCTURES FOR COMBINED SINGLE CRYSTAL DIFFRACTION AND POWDER DIFFRACTION ANALYSIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-07
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	47.230, 61.820, 75.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.880 - 1.170
R-factor	0.09368
Rwork	0.092
R-free	0.11886
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1svn
RMSD bond length	0.021
RMSD bond angle	1.882
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall
Low resolution limit [Å]	23.880
High resolution limit [Å]	1.170
Rmerge	0.420
Number of reflections	58833
<I/σ(I)>	39.8
Completeness [%]	78.2
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				20 MG/ML PROTEIN, 4% PEG 4000, 0.33 M NACL, 1.5 MM CACL2, 18 MM CITRATE BUFFER PH 6.0