8ORK

cyclic 2,3-diphosphoglycerate synthetase from the hyperthermophilic archaeon Methanothermus fervidus

This is a non-PDB format compatible entry.

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	2019-05-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	I 2 2 2
Unit cell lengths	74.264, 105.607, 156.619
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.710 - 1.640
Rwork	0.177
R-free	0.21300
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.710	1.680
High resolution limit [Å]	1.640	1.640
Rmerge	0.077
Rmeas	0.086
Rpim	0.038
Number of reflections	75512	3134
<I/σ(I)>	14.1
Completeness [%]	96.0	60.03
Redundancy	5	5
CC(1/2)	0.990	0.280

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	292.15	Morpheus condition F7 consisting of 0.12 M Monosaccharides mix; 0.1M Buffer System 2 pH 7.5; 30% v/v Precipitant Mix 3 Buffer system 2: Sodium HEPES; MOPS (acid) pH7.5 Monosaccharides mix: 0.2M D-Glucose; 0.2M D-Mannose; 0.2M D-Galactose; 0.2M L-Fucose; 0.2M D-Xylose; 0.2M N-Acetyl-D-Glucosamine Precipitants mix 3: 40% v/v Glycerol; 20% w/v PEG 4000