6JDA

Crystal structure of N-acetyl mannosmaine kinase in complex with N-acetylmannosamine in 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	C 2 2 21
Unit cell lengths	103.816, 173.732, 48.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.559 - 2.900
R-factor	0.1966
Rwork	0.194
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aa4
Data reduction software	XDS
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3211: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.060	3.080
High resolution limit [Å]	2.900	2.900
Rmerge	0.085	0.447
Rmeas	0.094	0.489
Rpim	0.038	0.196
Total number of observations	62338	9925
Number of reflections	9983	1573
<I/σ(I)>	13.4	3.7
Completeness [%]	99.5	99.8
Redundancy	6.2	6.3
CC(1/2)	0.995	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.2M lithium citrate tribasic tetrahydrate, 20%(w/v) PEG 3350