6ILE

CRYSTAL STRUCTURE OF A MUTANT PTAL-N*01:01 FOR 2.9 ANGSTROM, 52M 53D 54L DELETED

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	2018-01-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	0.97934
Spacegroup name	C 2 2 21
Unit cell lengths	73.343, 80.198, 129.539
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.769 - 2.900
R-factor	0.2164
Rwork	0.213
R-free	0.29320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vfn
RMSD bond length	0.002
RMSD bond angle	0.521
Data reduction software	HKL-3000
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.780	2.840
High resolution limit [Å]	2.700	2.700
Rmerge	0.431	0.845
Number of reflections	9390	1306
<I/σ(I)>	5.8
Completeness [%]	99.5
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M ammonium acetate, 0.1 M sodium citrate tribasic dehydrate pH 5.6 and 30%(w/v) polyethylene glycol 4,000