7SIB

Myocilin OLF mutant K500R

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	80
Detector technology	CCD
Collection date	2021-03-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	49.301, 50.776, 50.651
Unit cell angles	90.00, 96.31, 90.00

Refinement procedure

Resolution	35.750 - 1.780
R-factor	0.1498
Rwork	0.147
R-free	0.18220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pke
RMSD bond length	0.006
RMSD bond angle	0.848
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.750	1.844
High resolution limit [Å]	1.780	1.780
Rmerge	0.075	0.207
Rmeas	0.083	0.234
Rpim	0.035	0.105
Number of reflections	23925	2286
<I/σ(I)>	18.17	6.03
Completeness [%]	99.6	96.7
Redundancy	5.6	4.7
CC(1/2)	0.996	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	289	8% PEG 8000, 0.5M magnesium chloride