5TRG

Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide DPLG-2

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	2014-08-24
Detector	PSI PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	120.045, 219.087, 137.894
Unit cell angles	90.00, 104.87, 90.00

Refinement procedure

Resolution	49.530 - 2.804
R-factor	0.1632
Rwork	0.160
R-free	0.21560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hfa
RMSD bond length	0.014
RMSD bond angle	1.292
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]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.077	0.490
Number of reflections	167090
<I/σ(I)>	8.1	2.9
Completeness [%]	100.0	100
Redundancy	3.5	3.4
CC(1/2)	0.988	0.776

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,