7KV0

Crystallographic structure of Paenibacillus xylanivorans GH11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.4585
Spacegroup name	C 2 2 21
Unit cell lengths	62.426, 62.995, 183.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.800 - 2.501
R-factor	0.2158
Rwork	0.214
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2z79
RMSD bond length	0.002
RMSD bond angle	0.544
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	BALBES
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.800	45.800	2.600
High resolution limit [Å]	2.500	9.020	2.500
Rmerge	0.200	0.075	1.800
Number of reflections	12915	321	1452
<I/σ(I)>	10.3
Completeness [%]	100.0	99.8	99.7
Redundancy	12.8	11.4	12.6
CC(1/2)	0.996	0.996	0.545

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Sodium citrate tribasic dihydrate 1.6 M