8H64

Crystal structure of Internalin A from Listeria monocytogenes with nanobody VHH24 bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-17
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	129.730, 141.120, 198.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.060 - 2.350
R-factor	0.19
Rwork	0.188
R-free	0.22670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8H62 8H63
RMSD bond length	0.009
RMSD bond angle	1.637
Data reduction software	MOSFLM (7.2.2)
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP (11.6.04)
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.060	2.480
High resolution limit [Å]	2.350	2.350
Rmerge	0.129	0.773
Rpim	0.059	0.365
Number of reflections	139561	16169
<I/σ(I)>	8.7	2
Completeness [%]	92.1
Redundancy	5.2
CC(1/2)	0.994	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M Amonium citrate tribasic pH 7.0; 14% PEG 4,000