3CU3

Crystal structure of a domain of unknown function with a cystatin-like fold (npun_r1993) from nostoc punctiforme pcc 73102 at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-17
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97905, 0.97929
Spacegroup name	I 21 21 21
Unit cell lengths	50.510, 71.900, 117.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.386 - 2.000
R-factor	0.164
Rwork	0.161
R-free	0.21600
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.556
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.386	29.386	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.087	0.034	0.380
Number of reflections	14803	2763	2650
<I/σ(I)>	7.97	19.8	2.26
Completeness [%]	98.8	98.1	97.8
Redundancy	3.61

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.47	277	NANODROP, 0.2M Magnesium chloride, 36.0% PEG 400, 0.1M HEPES pH 7.47, VAPOR DIFFUSION, SITTING DROP, temperature 277K