5VEC

Crystal Structure of the R515L missense variant of human PGM1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2016-10-01
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 41 21 2
Unit cell lengths	171.324, 171.324, 99.382
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.679 - 2.200
R-factor	0.192775380156
Rwork	0.190
R-free	0.25066
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5epc
RMSD bond length	0.007
RMSD bond angle	0.853
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX (1.11.1_2575)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.680	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.279	2.141
Rpim	0.084	0.720
Number of reflections	75286	4379
<I/σ(I)>	11.9	1.2
Completeness [%]	100.0	99.9
Redundancy	11.9	9.8
CC(1/2)	0.997	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.01 M Cobalt (II) chloride hexahydrate, O.1 M MES monohydrate pH 6.5, Ammonium Sulfate 1.8-1.9M