3PS8

Crystal structure of L68V mutant of human cystatin C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-21
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97918
Spacegroup name	I 4 3 2
Unit cell lengths	139.801, 139.801, 139.801
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.000 - 2.550
R-factor	0.19069
Rwork	0.188
R-free	0.25055
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.643
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.550	2.550
Rmerge	0.115
Number of reflections	7932
<I/σ(I)>	41.57	2.23
Completeness [%]	100.0
Redundancy	42.9	41.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.1M sodium acetate pH=4.6, 8% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K