7BWZ

Crystal structure of RTT109 from CANDIDA ALBICANS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	193
Detector technology	CCD
Collection date	2015-04-20
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.975
Spacegroup name	P 1 21 1
Unit cell lengths	51.422, 69.594, 54.733
Unit cell angles	90.00, 114.54, 90.00

Refinement procedure

Resolution	49.790 - 1.770
R-factor	0.1742
Rwork	0.173
R-free	0.19290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bx0
RMSD bond length	0.009
RMSD bond angle	1.139
Data scaling software	HKL-2000 (V1.0)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.820
High resolution limit [Å]	1.770	4.050	1.770
Rmerge	0.096	0.083	0.404
Rmeas	0.104	0.090	0.444
Rpim	0.038	0.033	0.180
Total number of observations	244106
Number of reflections	34042	2921	2622
<I/σ(I)>	5.3
Completeness [%]	99.2	99.6	92.9
Redundancy	7.2	7.4	5.5
CC(1/2)		0.993	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	289.15	0.1 M Bis-Tris pH 6.0, 15~20% PEG 3350