6JDO

Crystal structure of N-acetyl mannosmaine kinase with AMP-PNP from Pasteurella multocida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 32 2 1
Unit cell lengths	126.433, 126.433, 82.912
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.770 - 2.002
R-factor	0.1938
Rwork	0.192
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jda
Data reduction software	XDS
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3211: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.690	45.690	2.050
High resolution limit [Å]	2.000	8.950	2.000
Rmerge	0.074	0.032	1.157
Rmeas	0.078	0.034	1.223
Rpim	0.025	0.011	0.392
Total number of observations	514396
Number of reflections	51733	648	3739
<I/σ(I)>	15
Completeness [%]	99.9	99.2	98.5
Redundancy	9.9	8.7	9.7
CC(1/2)	0.999	0.999	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.1 M Tascimate 5.0, 20% v/v isopropanol, 20% w/v PEG 4000, 100% v/v ethylene glycol