6OU1

Crystal Structure of the Computationally-derived 21-Variant of the Myocilin Olfactomedin Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	80
Detector technology	CCD
Collection date	2016-03-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	43.357, 66.889, 80.999
Unit cell angles	90.00, 95.19, 90.00

Refinement procedure

Resolution	36.712 - 1.878
R-factor	0.1692
Rwork	0.168
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.637
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.712	1.950
High resolution limit [Å]	1.878	1.878
Rmerge	0.102
Number of reflections	34931	2963
<I/σ(I)>	11.98	2.49
Completeness [%]	91.0
Redundancy	4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	20% PEG 3350, 0.2 M Bis Tris pH 6.0, 0.1 M Magnesium formate