2GCU

X-Ray Structure of Gene Product from Arabidopsis Thaliana At1g53580

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.23984
Spacegroup name	P 1 21 1
Unit cell lengths	66.607, 64.469, 127.877
Unit cell angles	90.00, 97.83, 90.00

Refinement procedure

Resolution	46.127 - 1.477
R-factor	0.17791
Rwork	0.176
R-free	0.20370
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.636
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.510
High resolution limit [Å]	1.480	3.650	1.480
Rmerge	0.075	0.049	0.435
Number of reflections	170395
<I/σ(I)>	12.429		2.818
Completeness [%]	94.6	99.9	67.7
Redundancy	5.9	7	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	24% MEPEG 5K, 0.10 M HEPES PH 8.5, 0.050 M MAGNESIUM SULFATE, vapor diffusion, hanging drop, temperature 297K
2	VAPOR DIFFUSION, HANGING DROP		297	25% MEPEG 5K, 0.10 M HEPES PH 8.5, 0.050 M MAGNESIUM SULFATE (PHASING CRYSTAL SOAKED 2 DAYS IN ABOVE WELL SOLUTION PLUS 0.002 M THIMEROSAL), vapor diffusion, hanging drop, temperature 297K