5I28

Azurin T30R1, crystal form II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8943
Spacegroup name	C 1 2 1
Unit cell lengths	242.478, 105.560, 100.051
Unit cell angles	90.00, 114.42, 90.00

Refinement procedure

Resolution	18.221 - 1.950
R-factor	0.2124
Rwork	0.212
R-free	0.27130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e67
RMSD bond length	0.008
RMSD bond angle	1.194
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.220	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.163	2.609
Number of reflections	166299
<I/σ(I)>	9
Completeness [%]	99.6
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	sodium malonate