4PM3

Structure of the double-stranded DNA binding type IV secretion protein TraN from Enterococcus

Replaces:  4HH7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0615
Spacegroup name	P 1 21 1
Unit cell lengths	32.880, 54.940, 57.710
Unit cell angles	90.00, 91.89, 90.00

Refinement procedure

Resolution	28.967 - 1.800
R-factor	0.1716
Rwork	0.169
R-free	0.21340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p0z
RMSD bond length	0.007
RMSD bond angle	0.962
Data reduction software	MOSFLM (11.0.02)
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.680	28.967	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge		0.063	0.522
Rmeas	0.141
Rpim	0.073	0.040	0.324
Total number of observations	69059	2183	10004
Number of reflections	19191
<I/σ(I)>	8.8	14.9	3.7
Completeness [%]	100.0	99.2	100
Redundancy	3.6	3.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	298	1:1 setup of purification buffer with Index screen condition 42 (0.1 M Bis-Tris, 25.0 % PEG 3350); final protein concentration: 3.25 mg/ml Crystal soaked for 1.5 h with Br4Pt