5VBI

Crystal Structure of the R515W 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	2016-11-03
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 41 21 2
Unit cell lengths	172.330, 172.330, 99.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.496 - 1.750
R-factor	0.166463873181
Rwork	0.165
R-free	0.19087
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5epc
RMSD bond length	0.006
RMSD bond angle	0.783
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]	60.930	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.093	1.580
Rpim	0.025	0.561
Number of reflections	150294	6946
<I/σ(I)>	20.1	1.1
Completeness [%]	99.7	93.6
Redundancy	13.6	8.5
CC(1/2)	0.999	0.595

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M HEPES 7.5, 0.1M Sodium Chloride, 1.5-1.7M Ammonium Sulfate