5J4K

Structure of humanised RadA-mutant humRadA22F in complex with 1-Indane-6-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	40.440, 61.214, 87.742
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.204 - 1.346
R-factor	0.1302
Rwork	0.129
R-free	0.16380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo_structure
RMSD bond length	0.008
RMSD bond angle	1.119
Data reduction software	autoPROC
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.204	1.350
High resolution limit [Å]	1.346	1.346
Rmerge	0.045	0.707
Number of reflections	46330
<I/σ(I)>	24.9	2.1
Completeness [%]	94.4	58.5
Redundancy	6.3	5.3
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	0.08M NaCacodylate pH=6.5, 0.16M CaAcetate, 18% PEG8000, 20%glycerol soaking: 10% DMSO, 5mM compound