1X94

Crystal Structure of a Hypothetical protein

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2004-03-04
Detector	BRANDEIS - B4
Wavelength(s)	0.97862,0.97904,0.94
Spacegroup name	P 21 21 2
Unit cell lengths	134.279, 46.112, 60.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.880 - 2.500
R-factor	0.229
Rwork	0.229
R-free	0.28500
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.200
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.120	0.550
Number of reflections	18477
<I/σ(I)>	8.3
Completeness [%]		87.3
Redundancy	7.3	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	Ammonium Acetate, Bis Tris, NaCl, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 20K, temperature 293K