4BQ6

Crystal structure of the RGMB-NEO1 complex form 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	91.320, 100.390, 103.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.2201
Rwork	0.218
R-free	0.26650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.220
Data reduction software	xia2
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.11.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.000	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.090	0.840
Number of reflections	42796
<I/σ(I)>	10.2	1.3
Completeness [%]	99.3	95.6
Redundancy	6	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		0.1 M TRIS-HCL, PH 8.5 0.2 M SODIUM ACETATE 30% PEG4000