7ESC

FmnB complexed with AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	47.875, 67.872, 97.003
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.460 - 2.201
Rwork	0.245
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7esa
RMSD bond length	0.011
RMSD bond angle	1.415
Data reduction software	xia2 (0.7.7)
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.460	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.045
Number of reflections	16541	1618
<I/σ(I)>	16.63
Completeness [%]	99.0
Redundancy	2
CC(1/2)	0.995	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		286	0.2 M Potassium sodium tartrate tetrahydrate, 20% w/v Polyethylene glycol 3350