3RR6

Structure of a putative uncharacterized protein from Mycobacterium abscessus ATCC 19977 / DSM 44196

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	I 21 21 21
Unit cell lengths	55.140, 94.951, 173.408
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.780 - 1.580
R-factor	0.1662
Rwork	0.165
R-free	0.18330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qdf
RMSD bond length	0.008
RMSD bond angle	1.316
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.610
High resolution limit [Å]	1.580	4.290	1.580
Rmerge	0.086	0.040	0.526
Number of reflections	62342
<I/σ(I)>	10.5
Completeness [%]	99.9	99.7	98.4
Redundancy	6.4	6.3	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	20% PEG 3350, 200mM potassium citrate, 29.18 mg/ml, cryoprotected with 25% ethylene glycol, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 289K