4HIC

Crystal structure of the potential transfer protein TraK from Gram-positive conjugative plasmid pIP501

Experimental procedure

Experimental method	Native
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	I 4
Unit cell lengths	114.040, 114.040, 120.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.319 - 3.001
R-factor	0.2128
Rwork	0.205
R-free	0.23370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.577
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX (dev_1088)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	82.835	40.319	3.160
High resolution limit [Å]	3.001	9.490	3.000
Rmerge		0.029	0.832
Total number of observations		3581	16933
Number of reflections	15465
<I/σ(I)>	12.3	22.8	0.9
Completeness [%]	99.9	98.3	100
Redundancy	7.6	7.2	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	vapor diffusion: microbatch under oil	6.5	298	1:1 setup of purification buffer with Morpheus screen condition 52 (12.5 % PEG 1000, 12.5 % PEG 3350, 12.5 % MPD, ethylene glycols mix, 0.1 M MES/Imidazol); final protein concentration: 6.45 mg/ml, pH 6.5, vapor diffusion: microbatch under oil, temperature 298K