7SJT

Myocilin OLF mutant K398R

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	2021-03-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	49.312, 50.556, 50.672
Unit cell angles	90.00, 96.38, 90.00

Refinement procedure

Resolution	35.680 - 1.540
R-factor	0.1523
Rwork	0.151
R-free	0.17500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pke
RMSD bond length	0.008
RMSD bond angle	1.057
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]	35.680	1.595
High resolution limit [Å]	1.540	1.540
Rmerge	0.037	0.143
Rmeas	0.047	0.182
Rpim	0.028	0.110
Number of reflections	34661	3518
<I/σ(I)>	19.54	9.05
Completeness [%]	94.2	96.91
Redundancy	2.4	2.5
CC(1/2)	0.998	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	289	8% PEG 8000, 0.05M magnesium chloride