4QAX

Crystal structure of post-catalytic binary complex 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	2014-04-22
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	72.802, 80.689, 89.254
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.530 - 2.000
R-factor	0.1684
Rwork	0.166
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4my4
RMSD bond length	0.018
RMSD bond angle	1.980
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP (11.0.05)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.855	19.526	2.110
High resolution limit [Å]	2.000	6.340	2.000
Rmerge		0.025	0.356
Rpim		0.010	0.159
Total number of observations		8204	28748
Number of reflections	35850
<I/σ(I)>	22.6	55.3	5.1
Completeness [%]	99.4	96.7	96.7
Redundancy	7	6.7	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.2M Sodium chloride, 0.1M Bis Tris pH 6.5, 25%(w/v)Polyethyleneglycol 3350. , VAPOR DIFFUSION, HANGING DROP, temperature 298K