4OZ9

Crystal structure of MltF from Pseudomonas aeruginosa complexed with isoleucine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2012-03-09
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.542
Spacegroup name	P 21 21 21
Unit cell lengths	54.390, 83.360, 90.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.170 - 2.240
R-factor	0.2169
Rwork	0.213
R-free	0.29410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.155
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	90.340	46.597	2.330
High resolution limit [Å]	2.200	7.000	2.210
Rmerge		0.027	0.168
Rmeas	0.062
Rpim	0.036	0.018	0.130
Total number of observations	34906	1846	3333
Number of reflections	15911
<I/σ(I)>	12.9	30.1	5.5
Completeness [%]	76.9	88.9	55.6
Redundancy	2.2	2.9	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.1 M Tris pH 8.0, 0.2 M MgCl2, 20% (w/v) PEG8000