1K2Y

Crystal Structure of Phosphomannomutase/Phosphoglucomutase S108A mutant from P. aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	71.064, 71.306, 96.586
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.750
R-factor	0.1697
Rwork	0.168
R-free	0.19600 *
Structure solution method	refinement of wild-type structure
Starting model (for MR)	Native protein pdb entry 1k35
RMSD bond length	0.017
RMSD bond angle	1.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.053	0.363
Total number of observations	240203 *
Number of reflections	49105
<I/σ(I)>	28.5	2.3
Completeness [%]	97.4	98.8
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	Regni, C.A., (2000) Acta Crystallogr, D56, 761. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12-15 (mg/ml)
2	1	drop	MOPS	10 (mM)	pH7.0
3	1	reservoir	sodium potassium tartrate	1.4 (M)
4	1	reservoir	sodium HEPES	100 (mM)	pH7.5