7KUU

LsfA from P. aeruginosa, a 1-Cys Prx in Sulfonic acid form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-11
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.4587
Spacegroup name	P 1 21 1
Unit cell lengths	41.569, 95.239, 59.830
Unit cell angles	90.00, 105.92, 90.00

Refinement procedure

Resolution	30.640 - 2.000
R-factor	0.2225
Rwork	0.221
R-free	0.25780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prx
RMSD bond length	0.008
RMSD bond angle	1.507
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.640	2.050
High resolution limit [Å]	2.000	2.000
Rpim	0.078	1.120
Number of reflections	26158	2098
<I/σ(I)>	9.4
Completeness [%]	86.4
Redundancy	1.15
CC(1/2)	0.998	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.25	291.15	Sodium phosphate citrate , Sodium Cloride, PEG 8000