5VIN

Crystal Structure of the R515Q 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	173.960, 173.960, 99.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.504 - 2.600
R-factor	0.241435170817
Rwork	0.239
R-free	0.29542
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5epc
RMSD bond length	0.010
RMSD bond angle	1.384
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]	61.510	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.185	1.846
Rpim	0.052	0.518
Number of reflections	47453	4566
<I/σ(I)>	15.2	1.4
Completeness [%]	100.0	100
Redundancy	13.9	13.6
CC(1/2)	0.998	0.796

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 1.8-2.1M