5QUC

HumRadA1.2 soaked with napht-2,3-diol for 60 seconds at 20 mM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9794
Spacegroup name	P 21 21 2
Unit cell lengths	69.186, 73.079, 40.466
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.466 - 1.430
R-factor	0.1715
Rwork	0.170
R-free	0.20420
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.466	40.466	1.510
High resolution limit [Å]	1.430	4.260	1.430
Rmerge	0.109	0.042	1.456
Rmeas	0.118	0.045	1.575
Total number of observations	274292
Number of reflections	38774	1608	5994
<I/σ(I)>	11.98	36.75	1.35
Completeness [%]	99.4	99.4	96.2
Redundancy	7.074	6.446	6.947
CC(1/2)	0.998	0.998	0.545

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	50 mM Na/K phospate, 5% PEG1000H