6XMV

The crystal structure of Neisseria gonorrhoeae DolP (NGO1985)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	65.040, 125.900, 47.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.785 - 2.750
R-factor	0.2282
Rwork	0.226
R-free	0.28230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2huk
RMSD bond length	0.004
RMSD bond angle	0.567
Data reduction software	XDS (VERSION May 1, 2016 BUILT=20160617)
Data scaling software	XSCALE (VERSION May 1, 2016 BUILT=20160617)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.785	57.785	2.820
High resolution limit [Å]	2.750	12.300	2.750
Rmerge	0.175	0.044	1.203
Rmeas	0.193	0.049	1.327
Number of reflections	10641	139	799
<I/σ(I)>	9.74	25.98	1.63
Completeness [%]	98.6	90.8	98.8
Redundancy	5.745	4.734	5.633
CC(1/2)	0.993	0.997	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.1 M Na acetate pH 4.5, 3M NaCl