2P10

CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHONOPYRUVATE HYDROLASE (MLL9387) FROM MESORHIZOBIUM LOTI MAFF303099 AT 2.15 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	2007-01-29
Detector	ADSC QUANTUM 4
Wavelength(s)	0.918381, 0.979354
Spacegroup name	H 3
Unit cell lengths	180.269, 180.269, 185.514
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.080 - 2.150
R-factor	0.165
Rwork	0.162
R-free	0.20400
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.249
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.083	45.100	2.230
High resolution limit [Å]	2.150	4.610	2.150
Rmerge	0.093	0.040	0.764
Number of reflections	121425
<I/σ(I)>	8.34	21.9	1.6
Completeness [%]	99.3	97.5	99.6
Redundancy	3.31		3.28

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4	277	NANODROP, 3.0% PEG 4000, 23.3% Glycerol, 0.1M Sodium acetate pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K, pH 4.00