5BT8

X-ray Crystal Structure of phosphoglycerate kinase from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-21
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	70.440, 200.290, 87.300
Unit cell angles	90.00, 91.37, 90.00

Refinement procedure

Resolution	48.450 - 2.300
R-factor	0.2157
Rwork	0.215
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zmr
RMSD bond length	0.004
RMSD bond angle	0.783
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	PHENIX ((dev_2050))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.073	0.027	0.546
Rmeas	0.085	0.032	0.635
Total number of observations	408424
Number of reflections	106790	1191	7936
<I/σ(I)>	14.03	36.08	2.61
Completeness [%]	99.9	95.8	99.8
Redundancy	3.82

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289	MCSG1 screen H9: 0.1 M BIS-TRIS:HCl, pH 5.6, 25% PEG3350