8SW0

Puromycin sensitive aminopeptidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97182
Spacegroup name	P 21 21 2
Unit cell lengths	70.684, 257.715, 60.387
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.201 - 2.301
R-factor	0.224
Rwork	0.223
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z1w
RMSD bond length	0.001
RMSD bond angle	0.416
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.20)
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.065	0.035	0.587
Rmeas	0.073	0.039	0.664
Rpim	0.033	0.017	0.306
Total number of observations	223462
Number of reflections	47993	5334	4680
<I/σ(I)>	12.8
Completeness [%]	95.9	99.8	95.4
Redundancy	4.7	5	4.6
CC(1/2)		0.997	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	5-8 mg/ml PSA mixed 1:1 with 15% PEG 4K, 0.1 M Tris (pH 8.5), 0.5 M sodium chloride, and 1.5% v/v dioxane