8B6D

Crystal structure of UDP-glucose pyrophosphorylase from Thermocrispum agreste DSM 44070 in complex with UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976300
Spacegroup name	P 43 21 2
Unit cell lengths	65.752, 65.752, 329.552
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	82.524 - 2.100
Rwork	0.175
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo-TaGalU
RMSD bond length	0.011
RMSD bond angle	1.855
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.530	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.090	1.260
Rmeas	0.093	1.280
Rpim	0.024	0.240
Number of reflections	43788	4253
<I/σ(I)>	29.1	3.86
Completeness [%]	100.0
Redundancy	26.4	26.9
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	292.15	sodium citrate, PEG 3350