5YUM

Crystallographic structures of IlvN.Val/Ile complexes:Conformational selectivity for feedback inhibition of AHASs

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-01-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	H 3 2
Unit cell lengths	89.620, 89.620, 86.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	57.878 - 2.432
R-factor	0.1936
Rwork	0.191
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2lvw
RMSD bond length	0.003
RMSD bond angle	0.621
Data reduction software	iMOSFLM (v7.0)
Data scaling software	Aimless (v7.0)
Phasing software	PHASER (v7.0)
Refinement software	PHENIX (v1.13-2998-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.880	2.520
High resolution limit [Å]	2.430	2.430
Rmerge	0.068	0.414
Rmeas	0.075	0.037
Rpim	0.031	0.195
Number of reflections	5202	534
<I/σ(I)>	20.7	4.3
Completeness [%]	100.0	100
Redundancy	10.5	10.4
CC(1/2)	0.999	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	288	0.01M cobalt(II) chloride hexahydrate, 0.1M MES monohydrate pH 6.5, 1.8M ammonium sulphate