7FBG

Kinetic and structural analysis by Peptidoglycan editing factor from Bacillus cereus ATCC 14579

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	2021-04-07
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	58.133, 75.141, 51.805
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.120 - 1.600
R-factor	0.1812
Rwork	0.179
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6t0y
RMSD bond length	0.011
RMSD bond angle	1.742
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.094	0.065	0.301
Rmeas	0.101	0.071	0.336
Rpim	0.038	0.028	0.146
Total number of observations	177662
Number of reflections	30421	1650	1496
<I/σ(I)>	14.4
Completeness [%]	98.9	97.9	99.1
Redundancy	5.8	6.5	4.6
CC(1/2)		0.994	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG 400, Sodium HEPES, CaCl, ZnCl2