6GJV

apo-structure of IMPDH from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.91165
Spacegroup name	P 1 21 1
Unit cell lengths	115.304, 194.639, 122.924
Unit cell angles	90.00, 117.75, 90.00

Refinement procedure

Resolution	44.631 - 2.110
R-factor	0.161
Rwork	0.160
R-free	0.19080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dqw
Data reduction software	XDS (September 26, 2012)
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.352	49.352	2.220
High resolution limit [Å]	2.110	6.670	2.110
Rmerge		0.025	0.496
Rmeas	0.081	0.035	0.678
Rpim	0.044	0.019	0.385
Total number of observations	941570
Number of reflections	274340	8831	39993
<I/σ(I)>	11.8	14.7	1.5
Completeness [%]	100.0	99.7	100
Redundancy	3.4	3.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	ithium chloride 500 mM, ammonium sulphate 50 mM and PEG8000 8%