2RGQ

Crystal structure of a protein of unknown function with a cystatin-like fold (npun_r3134) from nostoc punctiforme pcc 73102 at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-15
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000, 0.9796
Spacegroup name	P 21 21 2
Unit cell lengths	92.487, 93.768, 53.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.285 - 1.800
R-factor	0.164
Rwork	0.163
R-free	0.19600
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.739
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.3.0040)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.285	29.285	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.104	0.037	0.571
Total number of observations		1763	10755
Number of reflections	43329
<I/σ(I)>	4.9	15.2	1.3
Completeness [%]	99.6	95.4	99.1
Redundancy	3.5	3.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	NANODROP, 0.05M KH2PO4, 20.0% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 277K