5UBV

ATPase domain of i-AAA protease from Myceliophthora thermophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.18
Spacegroup name	P 21 21 21
Unit cell lengths	45.916, 86.624, 155.025
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.378 - 2.450
R-factor	0.1986
Rwork	0.196
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lv7
RMSD bond length	0.002
RMSD bond angle	0.436
Data scaling software	HKL-2000
Phasing software	PHENIX (1.10.1_2155)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.450	6.650	2.450
Rmerge	0.093	0.027	1.025
Rmeas	0.099
Rpim	0.032
Total number of observations	216406
Number of reflections	23565
<I/σ(I)>	7.5
Completeness [%]	100.0	100	100
Redundancy	9.2	8.4	8
CC(1/2)		1.000	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	293.15	0.2 M Ammonium Citrate, 14% PEG 3350, 5 mM ADP, 5 mM Magnesium chloride