6CCD

The crystal structure of Mycobacterium tuberculosis Rv1747 FHA-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-24
Detector	ADSC QUANTUM 210
Wavelength(s)	1.1159
Spacegroup name	P 32 2 1
Unit cell lengths	58.922, 58.922, 68.632
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.028 - 1.800
R-factor	0.1708
Rwork	0.169
R-free	0.20840
RMSD bond length	0.007
RMSD bond angle	1.134
Data reduction software	XDS (0.47 (08-Jul-2014))
Data scaling software	Aimless (Version 0.1.27)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.630	68.630	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.069	0.024	0.822
Rmeas	0.073	0.025	0.920
Rpim	0.031	0.008	0.396
Number of reflections	11508	1117	361
<I/σ(I)>	26	69	1.9
Completeness [%]	87.0	99.8	46.2
Redundancy	9.5	8.2	4.9
CC(1/2)	0.999	1.000	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	291	1:1 18 mg/mL protein (in 50 mM sodium chloride, 25 mM HEPES, 0.5 mM TCEP, pH 7.8), 1.8 M ammonium sulfate, 100 mM citrate buffer, pH 5.5, with 10% silicon, 90% paraffin solution as overlay