1OU8

structure of an AAA+ protease delivery protein in complex with a peptide degradation tag

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	113
Detector technology	CCD
Collection date	2002-09-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.92108
Spacegroup name	P 31 2 1
Unit cell lengths	69.020, 69.020, 104.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.980 - 1.600
R-factor	0.21
Rwork	0.206
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ou9
RMSD bond length	0.005
RMSD bond angle	24.600 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.107 *	0.634 *
Total number of observations	418776 *
Number of reflections	38849
Completeness [%]	100.0	100
Redundancy	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6 *	20 *	sodium citrate, sodium cacodylate, sodium thiocyanate, pH 5.7, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.7 (mg/ml)
2	1	reservoir	calcium acetate	0.24 (M)
3	1	reservoir	sodium cacodylate	0.1 (M)	pH5.6
4	1	reservoir	PEG8000	12 (%(w/v))