5VXS

Crystal Structure Analysis of human CLYBL in apo form

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)	0.999973
Spacegroup name	P 31 2 1
Unit cell lengths	154.629, 154.629, 156.506
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	133.913 - 2.954
R-factor	0.2081
Rwork	0.205
R-free	0.27240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vxc
RMSD bond length	0.009
RMSD bond angle	1.120
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	156.506	156.506	2.964
High resolution limit [Å]	2.954	13.709	2.954
Rmerge	0.106	0.044	1.792
Rmeas	0.109	0.045	1.833
Rpim	0.023	0.011	0.385
Total number of observations	999784	8858	10758
Number of reflections	45801
<I/σ(I)>	25.6	66.7	2.4
Completeness [%]	100.0	100	100
Redundancy	21.8	17	22.5
CC(1/2)	0.998	0.996	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1 uL protein at 4 mg/ml and 1 uL of the well solution, which is 85% dilution 0.2 M Ammonium Citrate Dibasic, 20% (w/v) PEG 3350