5ZXA

Crystal structure of fibronectin-binding protein Apa mutant from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-29
Detector	RAYONIX MX-300
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	118.028, 118.028, 118.852
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.665 - 1.770
R-factor	0.1641
Rwork	0.163
R-free	0.18100
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.501
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	1.830
High resolution limit [Å]	1.770	3.810	1.770
Rmerge	0.059	0.045	0.420
Rmeas	0.065	0.049	0.459
Rpim	0.026	0.020	0.183
Total number of observations	191611
Number of reflections	31151	3211	3101
<I/σ(I)>	11.4
Completeness [%]	99.9	99.4	99.9
Redundancy	6.2	6	5.9
CC(1/2)		0.998	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	0.1M NaCit, 2M NaCl