6U87

Pseudomonas aeruginosa HasA mutant - Y75H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	291
Detector technology	CCD
Collection date	2019-07-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	34.656, 47.035, 101.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.456 - 1.300
R-factor	0.1669
Rwork	0.166
R-free	0.17760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ell
RMSD bond length	0.006
RMSD bond angle	0.874
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.456	1.390
High resolution limit [Å]	1.300	1.320
Number of reflections	40083	116
<I/σ(I)>	6.9
Completeness [%]	96.4
Redundancy	14.7
CC(1/2)	0.957	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1M NaCl, 0.1M HEPES pH 7.5, 1.6M Ammonium Sulfate