8AVQ

AO75L in Complex with UDP-Xylose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	129.285, 130.427, 87.143
Unit cell angles	90.00, 118.01, 90.00

Refinement procedure

Resolution	85.900 - 2.000
R-factor	0.1972
Rwork	0.196
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8asa
RMSD bond length	0.003
RMSD bond angle	1.175
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.900	85.900	2.120
High resolution limit [Å]	2.000	5.980	2.000
Rmerge	0.089	0.032	1.049
Rmeas	0.105	0.038	1.248
Total number of observations	599433
Number of reflections	169521	6352	27093
<I/σ(I)>	10.6	35.86	1.23
Completeness [%]	99.4	98.8	98.4
Redundancy	3.536	3.605	3.368
CC(1/2)	0.997	0.998	0.425

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	291.15	0.1M TRIS; 0.1M BICINE, pH 8.1 37.5% Morpheus Precipitant mix4 0.03M CaCl2;0.03M MgCl2