9GVD

Structure of phosphonate monoester hydrolase from Rhizobium leguminosarum with vanadate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9738
Spacegroup name	I 2 2 2
Unit cell lengths	60.063, 97.129, 179.024
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.660 - 1.200
R-factor	0.1357
Rwork	0.134
R-free	0.16220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.151
Data scaling software	XDS (VERSION Feb 5, 2021)
Phasing software	PHENIX (1.21.1_5286)
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.660	1.280
High resolution limit [Å]	1.200	1.200
Rmeas	0.066	1.940
Rpim	0.025	0.953
Number of reflections	144955	13108
<I/σ(I)>	15.17	0.73
Completeness [%]	88.5	49.5
Redundancy	6.5	3.7
CC(1/2)	1.000	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.1M TRIS-HCL PH 8.5, 25% PEG 4000, 0.2M SODIUM ACETATE