5QUB

HumRadA1.2 soaked with napht-2,3-diol for 30 seconds at 20 mM

Replaces:  6TXY

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	68.989, 72.823, 40.411
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.411 - 1.350
R-factor	0.1648
Rwork	0.164
R-free	0.18810
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]	40.411	40.411	1.430
High resolution limit [Å]	1.350	4.030	1.350
Rmerge	0.069	0.042	0.524
Rmeas	0.074	0.046	0.575
Total number of observations	318329
Number of reflections	45455	1850	7205
<I/σ(I)>	16.61	38.96	3.12
Completeness [%]	99.9	99.2	99.3
Redundancy	7.003	6.681	5.839
CC(1/2)	0.999	0.998	0.857

Crystallization Conditions

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