3RWA

Crystal structure of circular-permutated mKate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	70
Detector technology	CCD
Collection date	2011-04-20
Detector	ADSC QUANTUM 210
Wavelength(s)	1.2158
Spacegroup name	C 1 2 1
Unit cell lengths	109.357, 93.280, 194.370
Unit cell angles	90.00, 96.52, 90.00

Refinement procedure

Resolution	38.311 - 1.670
R-factor	0.1823
Rwork	0.182
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.231
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.670	3.600	1.670
Rmerge	0.057	0.044	0.217
Number of reflections	223214
<I/σ(I)>	14.9
Completeness [%]	99.2	99.8	93.4
Redundancy	4	4.3	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	273	0.1M Tris-HCl pH 7.4, 0.2M MgCl2 and 18% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 273K