3PPH

Crystal structure of the Candida albicans methionine synthase by surface entropy reduction, threonine variant

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	C 1 2 1
Unit cell lengths	163.636, 98.080, 162.586
Unit cell angles	90.00, 131.10, 90.00

Refinement procedure

Resolution	47.664 - 2.800
R-factor	0.2132
Rwork	0.210
R-free	0.27560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ppc
RMSD bond length	0.008
RMSD bond angle	1.153
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.664	47.664	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge	0.109	0.039	0.659
Number of reflections	47736
<I/σ(I)>	9.2	13.9	1.2
Completeness [%]	99.8	99.4	99.9
Redundancy	3.6	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	25% (w/v) PEG-MME 2000, 75 mM KSCN, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K