3DAO

CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHATE (EUBREC_1417) FROM EUBACTERIUM RECTALE AT 1.80 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	2008-05-02
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97915,0.97929,0.91162
Spacegroup name	P 41 21 2
Unit cell lengths	101.855, 101.855, 110.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.934 - 1.800
R-factor	0.17
Rwork	0.168
R-free	0.20800
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.739
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.934	29.930	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.114	0.070	0.558
Total number of observations		4282	29118
Number of reflections	54677
<I/σ(I)>	5	7.2	1.4
Completeness [%]	100.0	98	100
Redundancy	7.3	6	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	0.2000M NH4OAc, 30.0000% PEG-4000, 0.1M Citrate pH 5., NANODROP, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K