5ZX9

Crystal structure of apo form fibronectin-binding protein Apa from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	118.666, 118.666, 117.894
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.479 - 1.550
R-factor	0.1572
Rwork	0.157
R-free	0.17040
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.457
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.610
High resolution limit [Å]	1.550	3.342	1.550
Rmerge	0.063	0.041	0.999
Rmeas	0.064	0.042
Rpim	0.016	0.010	0.281
Total number of observations	787523
Number of reflections	46832	4799	4645
<I/σ(I)>	17.8
Completeness [%]	99.9	99.1	100
Redundancy	16.8	17.5	13.4
CC(1/2)		0.999	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	20% PEG 8000, 0.1M HEPES pH 7.5, 0.2M (NH4)2SO4, 10% isopropanol