3PPG

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97650
Spacegroup name	P 21 21 21
Unit cell lengths	77.194, 99.217, 100.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.609 - 1.980
R-factor	0.1801
Rwork	0.178
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ppc
RMSD bond length	0.007
RMSD bond angle	0.982
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.010
High resolution limit [Å]	1.980	5.370	1.980
Rmerge	0.084	0.032	0.629
Number of reflections	54885
<I/σ(I)>	10.1
Completeness [%]	100.0	99.9	100
Redundancy	10	9.6	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	50 mM NaI, 27% (w/v) PEG 3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K