4NWJ

Crystal structure of phosphopglycerate mutase from Staphylococcus aureus in 3-phosphoglyceric acid bound form.

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	2013-11-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	73.637, 82.841, 89.145
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.630 - 2.010
R-factor	0.16682
Rwork	0.164
R-free	0.21667
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4my4
RMSD bond length	0.018
RMSD bond angle	1.963
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.684	19.626	2.120
High resolution limit [Å]	2.010	6.350	2.010
Rmerge		0.024	0.446
Number of reflections	35948
<I/σ(I)>	20.2	28.2	1.7
Completeness [%]	96.9	96.7	87.6
Redundancy	7.2	6.8	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	298	0.2M NaCl, Bis-Tris, 25%(w/v) PEG3350, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K