1XRR

Crystal structure of active site F1-mutant E245Q soaked with peptide Pro-Pro

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2003-03-03
Detector	MARRESEARCH
Wavelength(s)	1.0500
Spacegroup name	P 21 21 21
Unit cell lengths	52.800, 60.340, 80.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.750 - 2.400
R-factor	0.236
Rwork	0.236
R-free	0.30100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.800	2.550
High resolution limit [Å]	2.190	2.190
Number of reflections	12466
<I/σ(I)>	14
Completeness [%]	96.3	85.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	PEG 6000, Bis-Tris, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K