7ANU

Crystal structure of Pyrococcus abyssi Pbp11

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	I 1 2 1
Unit cell lengths	53.581, 54.156, 62.551
Unit cell angles	90.00, 95.06, 90.00

Refinement procedure

Resolution	42.420 - 1.640
R-factor	0.1949
Rwork	0.194
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xe1
RMSD bond length	0.012
RMSD bond angle	1.216
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.420	1.730
High resolution limit [Å]	1.640	1.640
Rmerge	0.076	0.792
Rpim	0.038	0.404
Number of reflections	21583	3058
<I/σ(I)>	10.4	2.4
Completeness [%]	99.2	97.3
Redundancy	5.6	5.5
CC(1/2)	0.998	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200 mM potassium thioycyanate, 25% PEG 3350.