4HWG

Structure of UDP-N-acetylglucosamine 2-epimerase from Rickettsia bellii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	H 3 2
Unit cell lengths	146.710, 146.710, 106.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.800 - 2.000
R-factor	0.1499
Rwork	0.148
R-free	0.18220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3beo modified with ccp4 program CHAINSAW
RMSD bond length	0.012
RMSD bond angle	1.499
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.084	0.030	0.490
Number of reflections	29671	362	2189
<I/σ(I)>	17.75	52.39	4.18
Completeness [%]	99.8	96.8	100
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Emerald Bio JCSG+ D5: 1.6M Na/K phosphate, 100mM HEPES pH 7.5, RibeA.00061.a.B1.PW36203 29.7mg/ml, VAPOR DIFFUSION, SITTING DROP, temperature 290K