1Q42

Crystal structure analysis of the Candida albicans Mtr2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	C 1 2 1
Unit cell lengths	62.489, 54.308, 61.285
Unit cell angles	90.00, 99.02, 90.00

Refinement procedure

Resolution	12.000 - 1.750
R-factor	0.22518
Rwork	0.224
R-free	0.23400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q40
RMSD bond length	0.009 *
RMSD bond angle	1.220 *
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.800
High resolution limit [Å]	1.750	1.750
Rmerge	0.056 *	0.360 *
Total number of observations	125926 *
Number of reflections	19910 *
<I/σ(I)>	4.7	1.8
Completeness [%]	94.8	84
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	20 *	NaH2PO4/K2HPO4, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	9.5 (mg/ml)
2	1	reservoir	sodium potassium phosphate	0.8 (M)	pH7.0