4MY4

Crystal structure of phosphoglycerate mutase from Staphylococcus aureus.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-09-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	73.206, 81.747, 89.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.690 - 2.000
R-factor	0.1666
Rwork	0.164
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ify
RMSD bond length	0.018
RMSD bond angle	1.985
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.5.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.262	19.684	2.110
High resolution limit [Å]	2.000	6.330	2.000
Rmerge		0.021	0.465
Rmeas		0.023	0.511
Rpim		0.009	0.206
Total number of observations		8315	29553
Number of reflections	36463
<I/σ(I)>	21.7	69.2	3.8
Completeness [%]	99.3	96.7	95.7
Redundancy	7	6.7	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.2M NaCl, Bis-Tris(pH 6.5), 25%(w/v) polyethylene glycol 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K