6NII

Crystal structure of RavD (residues 1-200) from Legionella pneumophila (strain Corby)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97930
Spacegroup name	H 3
Unit cell lengths	142.335, 142.335, 55.215
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.010 - 2.150
R-factor	0.197
Rwork	0.195
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6njd
RMSD bond length	0.009
RMSD bond angle	1.296
Data reduction software	HKL-2000 (715.5)
Data scaling software	HKL-2000 (715.5)
Phasing software	PHENIX (1.14-3228)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.010	50.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.107	0.072	0.803
Rmeas	0.114	0.077	0.863
Rpim	0.039	0.027	0.313
Number of reflections	22916	1150	1129
<I/σ(I)>	5
Completeness [%]	100.0	99.9	99.8
Redundancy	8.4	8.3	7.2
CC(1/2)		0.996	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	289	0.1 M MMT (Malic Acid, MES and TRIS (1:2:2 Molar Ratio), pH 4.5 adjusted with HCl), 0.2 M ammonium chloride, 15% PEG3350