6A9U

Crystal strcture of Icp55 from Saccharomyces cerevisiae bound to apstatin inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97947
Spacegroup name	I 4 2 2
Unit cell lengths	148.089, 148.089, 124.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.758 - 2.400
R-factor	0.2268
Rwork	0.225
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a16
RMSD bond length	0.004
RMSD bond angle	0.600
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.760	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.093	0.824
Rmeas	0.101	0.903
Rpim	0.037	0.487
Number of reflections	27387	2843
<I/σ(I)>	17.5	2.4
Completeness [%]	99.9	100
Redundancy	7.2	6.1
CC(1/2)	0.999	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	293	100mM hipis pH 7 , 28% Jagffamine ED 2003 pH7, 2mM MnCl2