3P0T

Crystal structure of an HIT-like protein from mycobacterium paratuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-24
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	55.610, 55.610, 205.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.165
Rwork	0.163
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3LB5 modified with the CCP4 program CHAINSAW and truncated
RMSD bond length	0.015
RMSD bond angle	1.462
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.054	0.362
Number of reflections	26228
<I/σ(I)>	27.46	2.7
Completeness [%]	99.0	91.2
Redundancy	8.6	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	EBS JCSG+ SCREEN G11: 100MM BISTRIS PH 6.5, 2M AMMONIUM SULPHATE; MYPAA.00754.B.A1 PS00728 AT 48MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K