5IQX

1.05A resolution structure of Holo HasAp (R33A) from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	34.167, 47.161, 101.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.527 - 1.050
R-factor	0.1134
Rwork	0.113
R-free	0.12930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ell
RMSD bond length	0.008
RMSD bond angle	1.052
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.160	47.160	1.070
High resolution limit [Å]	1.050	5.750	1.050
Rmerge	0.065	0.045	0.561
Total number of observations		3261	22054
Number of reflections	75527
<I/σ(I)>	15.3	36.4	3.3
Completeness [%]	97.8	99.3	94.4
Redundancy	6.4	5.7	6.2
CC(1/2)	0.999	0.998	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.1 M DL-Malic Acid