6U2D

PmtCD peptide exporter basket domain

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	2018-10-10
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.541
Spacegroup name	C 1 2 1
Unit cell lengths	150.190, 39.783, 56.499
Unit cell angles	90.00, 108.94, 90.00

Refinement procedure

Resolution	28.207 - 2.110
R-factor	0.2142
Rwork	0.209
R-free	0.26050
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.075
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.150
High resolution limit [Å]	2.110	5.720	2.110
Rmerge	0.085	0.042	0.570
Rmeas	0.100	0.049	0.693
Rpim	0.052	0.025	0.389
Total number of observations	120418
Number of reflections	33464	1747	1239
<I/σ(I)>	8.8
Completeness [%]	94.0	99	71.6
Redundancy	3.6	3.8	2.7
CC(1/2)		0.998	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	0.2 M ammonium sulfate, 0.1 M ammonium acetate pH 4.6 and 28% PEG MME 550