5VVE

Crystal structure of phosphoglycerate mutase from Naegleria fowleri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-01
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	77.610, 89.330, 157.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.046 - 1.700
R-factor	0.1659
Rwork	0.165
R-free	0.19470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e58 found by Morda
RMSD bond length	0.008
RMSD bond angle	0.928
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (dev_2776)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.046	47.046	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.042	0.024	0.431
Rmeas	0.044	0.025	0.473
Number of reflections	60168	766	4118
<I/σ(I)>	34.11	99.24	3.69
Completeness [%]	99.3	99.2	93.1
Redundancy	12.494	17.106	5.942
CC(1/2)	1.000	1.000	0.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	Micolytic MCSG1 A7: 200mM MgCl2, 25% PEG 3350, 100mM BisTris HCl pH 5.5:NafoA.0013.a.B1.PS38236 at 18.9mg/ml: crystals soaked for 3h with 2.5mM 3-Pospho-glycerate (BSI 1959, not visible in structure): cryo: 20% EG, tray: 290723a7, puck wvn8-2