3DON

Crystal structure of shikimate dehydrogenase from Staphylococcus epidermidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-01-05
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	52.877, 54.153, 102.724
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.187
Rwork	0.183
R-free	0.26000
Structure solution method	MAD
RMSD bond length	0.020
RMSD bond angle	1.723
Data reduction software	d*TREK
Data scaling software	d*TREK (7.1SSI)
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.900	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.100	0.334
Total number of observations		10094
Number of reflections	17458
<I/σ(I)>	5.9	2
Completeness [%]	97.9	98.8
Redundancy	5.57	5.82

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	277	0.1M tri-Sodium Citrate dihydrate pH 5.8, 24% PEG 4000, 0.2M Ammonium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	5.8	277	0.1M tri-Sodium Citrate dihydrate pH 5.8, 24% PEG 4000, 0.2M Ammonium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K