4Z1M

Bovine F1-ATPase inhibited by three copies of the inhibitor protein IF1 crystallised in the presence of thiophosphate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-14
Detector	RAYONIX MX-225
Wavelength(s)	0.8729
Spacegroup name	P 21 21 21
Unit cell lengths	108.773, 155.286, 271.018
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.310 - 3.300
R-factor	0.2403
Rwork	0.239
R-free	0.27470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.891
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0048)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.310	46.310	3.380
High resolution limit [Å]	3.300	15.480	3.300
Rmerge	0.232	0.067	0.681
Rpim	0.141	0.040	0.409
Total number of observations	227912	2344	15977
Number of reflections	67483
<I/σ(I)>	4	10.6	1.5
Completeness [%]	97.3	90.6	99.1
Redundancy	3.4	3.5	3.5
CC(1/2)	0.967	0.992	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		295	Tris.HCl, MgCl2, EDTA, sodium monothiophosphate, ATP NaCl, spermidine, PEG 4000