5ZUW

Crystal structure of H99Q mutant of phosphomannose isomerase from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	36.310, 92.010, 116.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.850 - 2.100
R-factor	0.18497
Rwork	0.182
R-free	0.24242
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h1m
RMSD bond length	0.017
RMSD bond angle	1.879
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.850	2.210
High resolution limit [Å]	2.100	2.100
Number of reflections	23665
<I/σ(I)>	12.1
Completeness [%]	100.0
Redundancy	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.8	298	0.1 M Magnesium acetate tetrahydrate, 0.2 M Sodium cacodylate pH 6.8, 20% PEG 8000, 30% dioxane