5IQW

1.95A resolution structure of Apo 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	2013-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 41 21 2
Unit cell lengths	92.781, 92.781, 95.714
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.309 - 1.950
R-factor	0.1865
Rwork	0.185
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ell
RMSD bond length	0.010
RMSD bond angle	1.140
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.860	47.860	2.000
High resolution limit [Å]	1.950	8.940	1.950
Rmerge	0.079	0.035	1.771
Number of reflections	31128
<I/σ(I)>	21.2
Completeness [%]	100.0	99.4	100
Redundancy	12.9	10.3	13.2
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.0 M sodium acetate trihydrate, 0.1 M HEPES, 0.05 M Cd(SO4) hydrate