7AL6

Crystal structure of the hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 61
Unit cell lengths	136.758, 136.758, 148.126
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.760 - 2.100
R-factor	0.1652
Rwork	0.163
R-free	0.20650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7al5
RMSD bond length	0.013
RMSD bond angle	1.463
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.760	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.095	0.918
Rmeas	0.095
Rpim	0.034	0.328
Number of reflections	91339	9065
<I/σ(I)>	15.71	2.32
Completeness [%]	100.0	100
Redundancy	8.7	8.8
CC(1/2)	0.999	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.24 M magnesium formate 22% PEG 3350 20mg/ml protein concentration