3VZQ

Crystal structure of Q47L mutant of PhaB from Ralstonia eutropha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-07-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	93.570, 88.630, 70.680
Unit cell angles	90.00, 104.24, 90.00

Refinement procedure

Resolution	45.347 - 2.000
R-factor	0.2369
Rwork	0.235
R-free	0.26720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vzp
RMSD bond length	0.002
RMSD bond angle	0.611
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.000	2.000
Number of reflections	37627
<I/σ(I)>		3.07
Completeness [%]	99.4	97.8
Redundancy	4.3	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	0.6-1.2M sodium/potassium tartrate, 0.16-0.2M lithium sulfate, 0.1M CHES (pH 8.9-9.9). , VAPOR DIFFUSION, HANGING DROP, temperature 293K