6JDH

Crystal structure of N-acetyl mannosmaine kinase 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	2016-07-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97856
Spacegroup name	P 32 2 1
Unit cell lengths	126.336, 126.336, 82.420
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.565 - 1.900
R-factor	0.198
Rwork	0.196
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jda
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3211: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.580	45.580	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.080	0.037	1.193
Rmeas	0.085	0.040	1.279
Rpim	0.027	0.014	0.456
Number of reflections	59936	604	3836
<I/σ(I)>	17.2
Completeness [%]	99.9	98.7	99.5
Redundancy	9.7	8.4	7.7
CC(1/2)	0.999	0.999	0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1M Tascimate 5.0, 20% v/v Isopropanol, 20% w/v PEG 4000 with an additive containing 2M NaCl