5VQE

Beta-glucoside phosphorylase BglX bound to 2FGlc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-06-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	80.390, 83.950, 161.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.117 - 1.889
R-factor	0.1741
Rwork	0.172
R-free	0.20650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3BMX (Sculptor edited)
RMSD bond length	0.005
RMSD bond angle	0.816
Data reduction software	HKL-3000
Data scaling software	Aimless (CCP4 7.0)
Phasing software	PHENIX (dev_2481)
Refinement software	PHENIX ((dev_2481: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.630	1.930
High resolution limit [Å]	1.890	1.890
Rmerge	0.073	0.235
Number of reflections	43306	2693
<I/σ(I)>	15	6.9
Completeness [%]	98.4	96.1
Redundancy	6.8	6.1
CC(1/2)	0.997	0.958

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	27% PEG 1000 and 100 mM MES (pH 6.5)