6T4V

Crystal structure of 2-methylisocitrate lyase (PrpB) from Pseudomonas aeruginosa in apo form.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97629
Spacegroup name	C 1 2 1
Unit cell lengths	152.859, 59.191, 148.112
Unit cell angles	90.00, 120.08, 90.00

Refinement procedure

Resolution	64.082 - 1.807
R-factor	0.1953
Rwork	0.194
R-free	0.21550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mum
RMSD bond length	0.017
RMSD bond angle	1.793
Data reduction software	xia2
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.082	54.030	1.910
High resolution limit [Å]	1.807	5.720	1.810
Rmerge	0.067	0.043	0.365
Rmeas	0.089	0.057	0.488
Rpim	0.057	0.037	0.320
Number of reflections	104256	3179	14593
<I/σ(I)>	6.1		1.6
Completeness [%]	95.2	92.3	95.6
Redundancy	1.9	1.9	1.9
CC(1/2)	0.994	0.995	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	PrpB 13-15 mg/ml with 5 mM DTT 0.1 M TRIS 8.5 pH (Buffer) 20-30 %w/v PEG 4K (Precipitant) 0.1-0.25 M LiSO4 (Salt)