1X6R

Structure 5: room temperature crystal structure of the truncated pak pilin from Pseudomonas aeruginosa at 1.80A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2001-08-10
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	38.042, 38.042, 149.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.600 - 1.820
R-factor	0.15115
Rwork	0.150
R-free	0.17744
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dzo
RMSD bond length	0.017
RMSD bond angle	1.618
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.600	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.079
Number of reflections	10367
<I/σ(I)>	11.59
Completeness [%]	76.0	76
Redundancy	15.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.2	293	60% Ammonium Sulfate, 0.1M Hepes, pH 8.2, VAPOR DIFFUSION, temperature 293K