5VXC

Crystal Structure Analysis of human CLYBL in complex with free CoASH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99997
Spacegroup name	H 3
Unit cell lengths	76.515, 76.515, 139.428
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	59.849 - 1.872
R-factor	0.1832
Rwork	0.181
R-free	0.21960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z6k
RMSD bond length	0.010
RMSD bond angle	0.862
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.849	1.878
High resolution limit [Å]	1.872	1.872
Rmerge	0.087	0.802
Rmeas	0.097	0.896
Rpim	0.042	0.394
Total number of observations	137154
Number of reflections	24985
<I/σ(I)>	15.7
Completeness [%]	99.5	100
Redundancy	5.5	5.3
CC(1/2)	0.998	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	1 uL protein at 4 mg/ml and well solution (0.1 M sodium acetate:HCl pH4.6, 3.5 M sodium formate)