5TRY

Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2206

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	120.650, 197.481, 164.810
Unit cell angles	90.00, 103.05, 90.00

Refinement procedure

Resolution	51.094 - 3.000
R-factor	0.184197980489
Rwork	0.182
R-free	0.23361
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hfa
RMSD bond length	0.003
RMSD bond angle	0.634
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.094	3.100
High resolution limit [Å]	3.000	3.000
Rmerge	0.106	0.454
Number of reflections	149567
<I/σ(I)>	6	1.9
Completeness [%]	99.3	94.6
Redundancy	3.1	3
CC(1/2)	0.973	0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	277	60 mM sodium citrate (pH 6.2), 14% PEG-3350