5BMN

Crystal Structure of APO form of Phosphoglucomutase from Xanthomonas citri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96861
Spacegroup name	P 21 21 21
Unit cell lengths	43.980, 55.180, 174.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.096 - 1.270
R-factor	0.166
Rwork	0.165
R-free	0.18690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2k2y
RMSD bond length	0.007
RMSD bond angle	1.118
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.620	52.620	1.300
High resolution limit [Å]	1.270	5.680	1.270
Rmerge	0.041	0.024	0.643
Number of reflections	112663
<I/σ(I)>	20
Completeness [%]	99.6	99.4	97.8
Redundancy	6.3	5.8	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	12.5 % PEG 1000, 12.5 % PEG 3350, 12.5 % MPD, 30 mM MgCl2, 30 mM CaCl2, 100 mM MOPS/HEPES pH 7.5