4EO9

Crystal structure of a phosphoglycerate mutase gpm1 from Mycobacterium leprae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-11
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 42 2 2
Unit cell lengths	80.310, 80.310, 119.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.450
R-factor	0.1976
Rwork	0.196
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.497
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.510
High resolution limit [Å]	2.450	10.960	2.450
Rmerge	0.075	0.017	0.529
Number of reflections	14961	210	1083
<I/σ(I)>	21	64.7	4
Completeness [%]	99.8	95.9	99.7
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	MyleA.00184.a.A1 PS01437 at 18.1 mg/mL against JCSG+ A8 0.2 M ammonium formate, 20% PEG 3350 supplemented with 15% PEG 400 as cryo-protectant, crystal tracking ID 233299a8, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K