5KVI

Crystal structure of monomeric human apoptosis-inducing factor with E413A/R422A/R430A mutations

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2016-01-22
Detector	RDI CMOS_8M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	64.623, 81.802, 108.323
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.160 - 1.995
R-factor	0.1586
Rwork	0.157
R-free	0.19410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bv6
RMSD bond length	0.008
RMSD bond angle	0.876
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.090	0.067	0.381
Rmeas	0.098
Rpim	0.038
Total number of observations	200938
Number of reflections	32041
<I/σ(I)>	13.7
Completeness [%]	80.7	99.4	31.6
Redundancy	6.3	6.2	2.3
CC(1/2)		0.996	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	100 mM HEPES, pH 7.5, 50 mM NaCl, 24% PEG3350