5IK2

Caldalaklibacillus thermarum F1-ATPase (epsilon mutant)

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	2012-11-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.87260
Spacegroup name	P 1 21 1
Unit cell lengths	148.240, 131.290, 212.010
Unit cell angles	90.00, 108.20, 90.00

Refinement procedure

Resolution	201.400 - 2.600
R-factor	0.2138
Rwork	0.213
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hkk
RMSD bond length	0.007
RMSD bond angle	1.057
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	201.400	46.940	2.640
High resolution limit [Å]	2.600	14.240	2.600
Rmerge	0.056	0.014	0.273
Number of reflections	220174
<I/σ(I)>	10.1
Completeness [%]	93.9	85.2	87.2
Redundancy	1.7	1.9	1.6
CC(1/2)	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.6	295	PEG 4600, Bis-Tris, Tris-HCl, glycerol, MgCl2, ADP, NaCl