7NWR

Structure of BT1526, a myo-inositol-1-phosphate synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9796
Spacegroup name	P 2 21 21
Unit cell lengths	66.805, 104.563, 124.318
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.847 - 2.000
Rwork	0.183
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qvt
RMSD bond length	0.007
RMSD bond angle	1.407
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.850	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	59644	4334
<I/σ(I)>	11.2
Completeness [%]	100.0
Redundancy	13.3	13.6
CC(1/2)	0.998	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	200 mM Sodium Formate 100 mM Bis Tris propane pH 6.5 20 % (w/v) PEG 3350