3R09

Crystal structure of probable HAD family hydrolase from Pseudomonas fluorescens Pf-5 with bound Mg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	98
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	66.299, 66.299, 251.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.053 - 2.200
R-factor	0.1806
Rwork	0.179
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m9l
RMSD bond length	0.006
RMSD bond angle	0.925
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Number of reflections	17605
<I/σ(I)>	51.1	7.8
Completeness [%]	99.6	98.5
Redundancy	20.1	15.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.3	294	Protein 10 mM HEPES pH 8.5, 150 mM Nacl, 10% glycerol, 5 mM DTT, 10 mM MgCl2, Reservoir (2.5 M NaK phosphate pH 5.0, 150 mM NaCitrate), Soak (1.5 M MgSO4, 200 mM MES pH 5.3, 20% glycerol, 10 min, vapor diffusion, sitting drop, temperature 294K, VAPOR DIFFUSION, SITTING DROP