4M81

The structure of E292S glycosynthase variant of exo-1,3-beta-glucanase from Candida albicans complexed with 1-fluoro-alpha-D-glucopyranoside (donor) and p-nitrophenyl beta-D-glucopyranoside (acceptor) at 1.86A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2004-06-06
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	59.006, 64.202, 95.037
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.092 - 1.860
R-factor	0.1515
Rwork	0.148
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cz1
RMSD bond length	0.007
RMSD bond angle	1.041
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.010	1.960
High resolution limit [Å]	1.860	1.860
Rmerge	0.088	0.527
Number of reflections	28249
<I/σ(I)>	15.5	2.7
Completeness [%]	90.7	74
Redundancy	5.2	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	291	0.1M HEPES-KOH, 0.2M CACL2, 19% PEG8000, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K