22AP

Crystal structure of Bacillus cereus GmaR in complex with UDP-GlcNAc and Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2021-03-07
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 65 2 2
Unit cell lengths	78.946, 78.946, 215.085
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.084 - 2.420
R-factor	0.2026
Rwork	0.200
R-free	0.24370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	22ao
RMSD bond length	0.007
RMSD bond angle	0.909
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.460
High resolution limit [Å]	2.420	2.420
Number of reflections	15942	781
<I/σ(I)>	40.6	4.7
Completeness [%]	98.4	99
Redundancy	6.9	6
CC(1/2)	0.998	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	291	PEG 3350, magnesium chloride, calcium acetate, MES