3PL2

Crystal structure of a 5-keto-2-deoxygluconokinase (NCgl0155, Cgl0158) from Corynebacterium glutamicum ATCC 13032 KITASATO at 1.89 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-11
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 1
Unit cell lengths	45.908, 79.494, 81.703
Unit cell angles	101.86, 95.72, 92.11

Refinement procedure

Resolution	37.804 - 1.890
R-factor	0.1828
Rwork	0.180
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qcv
RMSD bond length	0.016
RMSD bond angle	1.574
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.804	37.804	1.940
High resolution limit [Å]	1.890	8.450	1.890
Rmerge		0.060	0.438
Total number of observations		3868	12613
Number of reflections	87262
<I/σ(I)>	7.8	8.2	1.2
Completeness [%]	97.1	97.9	95.8
Redundancy	2.3	3.9	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.200M NH4OAc, 30.00% PEG-4000, 0.1M Citrate pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K