4I4I

Crystal Structure of Bacillus stearothermophilus Phosphofructokinase mutant T156A bound to PEP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Detector technology	CCD
Collection date	2010-01-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97924
Spacegroup name	P 21 21 21
Unit cell lengths	96.405, 111.575, 129.448
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.172 - 2.495
R-factor	0.2
Rwork	0.166
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u39
RMSD bond length	0.004
RMSD bond angle	0.558
Data reduction software	d*TREK (9.9L)
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.286	38.890	2.380
High resolution limit [Å]	2.494	4.950	2.300
Rmerge	0.073	0.031	0.444
Number of reflections	48881
<I/σ(I)>	12.2	29.2	3.1
Completeness [%]	100.0	99.7	100
Redundancy	6.74	6.55	6.73

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	0.1M HEPES sodium pH 7.5 and 1.4 M Sodium citrate tribasic dehydrate, VAPOR DIFFUSION, HANGING DROP, temperature 289K