9L4V

The crystal structure of BurB-SMM-SAM complex

This is a non-PDB format compatible entry.

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	2023-07-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	I 2 2 2
Unit cell lengths	63.079, 67.159, 103.506
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.980 - 2.300
R-factor	0.1897
Rwork	0.188
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.122
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.119	0.446
Rmeas	0.136	0.467
Rpim	0.038	0.129
Number of reflections	9956	974
<I/σ(I)>	30	4.8
Completeness [%]	98.7	98.4
Redundancy	12.9	12.7
CC(1/2)	0.983	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M ammonium sulfate, 0.1 M Tris pH 8.4, 11% (w/v) PEG 8000