4G9B

Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-03
Detector	RAYONIX 225 HE
Wavelength(s)	0.9793
Spacegroup name	H 3 2
Unit cell lengths	129.168, 129.168, 85.766
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.588 - 1.700
R-factor	0.1673
Rwork	0.166
R-free	0.20380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nas
RMSD bond length	0.007
RMSD bond angle	1.019
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.063	26.588	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.108	0.041	0.875
Total number of observations		9715	48098
Number of reflections	30181
<I/σ(I)>	12.6	16.5	0.9
Completeness [%]	99.9	96	100
Redundancy	11.1	10	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffuction	7	298	Protein (10 mM Hepes pH 7.5, 150 mM NaCl, 10% glycerol, 1 mM DTT, 5 mM MgCl); Reservoir (0.1 M Bis-Tris Propane:HCl, 1.8 M Magnesium Sulfate); Cryoprotection (Reservoir, + 20% glycerol), sitting drop vapor diffuction, temperature 298K