6JDB

Crystal structure of N-acetyl mannosmaine kinase in complex with ManNAc-6P and ADP from Haemophilus influenzae

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	2016-09-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857 A
Spacegroup name	I 41 2 2
Unit cell lengths	92.591, 92.591, 183.321
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.280 - 2.650
R-factor	0.2165
Rwork	0.213
R-free	0.27560
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]	46.300	46.300	2.770
High resolution limit [Å]	2.640	8.770	2.640
Rmerge	0.094	0.032	0.947
Rmeas	0.104	0.037	1.035
Rpim	0.043	0.017	0.412
Number of reflections	12021	386	1528
<I/σ(I)>	11.9
Completeness [%]	99.6	98.3	98
Redundancy	5.9	4.8	6.2
CC(1/2)	0.998	0.999	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.2M Ammonium phosphate monobasic, 0.1M Tris pH 8.5, 50% v/v MPD