7KC6

X-ray structure of Lfa-1 I domain in complex with Lovastatin collected at 273 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	273
Detector technology	CCD
Collection date	2016-10-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.116
Spacegroup name	I 1 2 1
Unit cell lengths	66.889, 46.078, 127.233
Unit cell angles	90.00, 104.61, 90.00

Refinement procedure

Resolution	64.370 - 1.850
R-factor	0.176
Rwork	0.173
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f74
RMSD bond length	0.017
RMSD bond angle	1.188
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.370	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.102	1.055
Rmeas	0.144
Rpim	0.102
Number of reflections	32277	6363
<I/σ(I)>	5.19	0.75
Completeness [%]	99.8	99.72
Redundancy	2	2
CC(1/2)	0.993	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M NH4NO3 and 20%(w/v) PEG 3350