4YW4

Streptococcus pneumoniae sialidase NanC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.87290
Spacegroup name	P 1 21 1
Unit cell lengths	99.697, 74.770, 113.110
Unit cell angles	90.00, 95.71, 90.00

Refinement procedure

Resolution	59.709 - 2.200
R-factor	0.1834
Rwork	0.182
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vw0
RMSD bond length	0.013
RMSD bond angle	1.526
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.709	59.709	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge		0.042	0.350
Rmeas	0.110
Rpim	0.064	0.031	0.258
Total number of observations	224169	2485	16483
Number of reflections	83261
<I/σ(I)>	7.6	15.6	2.8
Completeness [%]	98.9	96.5	99.4
Redundancy	2.7	2.6	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	16% PEG8000, 20% glycerol, 40mM monopotassium phosphate