4PHQ

ClyA CC6/264 ox (6-303)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-15
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	176.880, 48.440, 152.430
Unit cell angles	90.00, 102.33, 90.00

Refinement procedure

Resolution	38.540 - 1.940
R-factor	0.1731
Rwork	0.172
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qoy
RMSD bond length	0.007
RMSD bond angle	0.897
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000		2.060
High resolution limit [Å]	1.940	5.760	1.940
Rmerge	0.076	0.032	0.527
Rmeas	0.084	0.035	0.579
Total number of observations	511121
Number of reflections	86049	3082	13824
<I/σ(I)>	14.53	40.07	3.27
Completeness [%]	91.4	80.9	90.3
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	293	19% PEG 3350, 0.1 M Tris-Acetate