6JD0

Structure of mutant human cathepsin L, engineered for GAG binding

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-20
Detector	MAR CCD 130 mm
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	63.835, 64.172, 92.857
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.408 - 1.805
R-factor	0.1739
Rwork	0.171
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cs8
RMSD bond length	0.010
RMSD bond angle	1.003
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.056	0.023	0.631
Rmeas	0.063	0.026	0.709
Rpim	0.028	0.012	0.319
Number of reflections	34526	1933	1491
<I/σ(I)>	10.9
Completeness [%]	96.8	99.3	85.4
Redundancy	4.7	4.5	4.3
CC(1/2)		0.999	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	PEG 4000, 2-propanol etc