4O98

Crystal structure of Pseudomonas oleovorans PoOPH mutant H250I/I263W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-09-22
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	116.742, 116.742, 83.395
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.229 - 2.251
R-factor	0.1796
Rwork	0.177
R-free	0.21950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.263
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.330
High resolution limit [Å]	2.250	4.850	2.250
Rmerge	0.055	0.031	0.303
Number of reflections	30699
<I/σ(I)>	26
Completeness [%]	99.5	100	95.1
Redundancy	13.4	13.4	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	291	0.1M bicine/Trizma base, pH 8.3, 0.03M sodium fluoride, 0.03M sodium bromide, 0.03M sodium iodide, 12.5%(w/v) PEG1000, 12.5%(w/v) PEG3350, 12.5(v/v) (RS)-2-methyl-2,4-pentanediol., VAPOR DIFFUSION, SITTING DROP, temperature 291K