5OQW

XIAP in complex with small molecule

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 41 21 2
Unit cell lengths	99.380, 99.380, 106.733
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.840 - 2.310
R-factor	0.21507
Rwork	0.213
R-free	0.24631
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.325
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall
Low resolution limit [Å]	72.840
High resolution limit [Å]	2.310
Rmerge	0.158
Number of reflections	24134
<I/σ(I)>	13.2
Completeness [%]	100.0
Redundancy	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1M HEPES/NaOHpH=8, 2.9M NaCl