3PPC

Crystal structure of the Candida albicans methionine synthase by surface entropy reduction, tyrosine variant with zinc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11587
Spacegroup name	P 21 21 21
Unit cell lengths	77.676, 92.685, 190.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.18418
Rwork	0.182
R-free	0.23104
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u1h
RMSD bond length	0.018
RMSD bond angle	1.506
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.097	0.043	0.453
Number of reflections	68226
<I/σ(I)>	13.2	11.6	1.7
Completeness [%]	96.5	99.7	82.7
Redundancy	6.4	6.8	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	250 mM NaI, 20% (w/v) PEG 3350, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K