5YLN

Zinc dependent alcohol dehydrogenase 2 from Streptococcus pneumonia - apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-09-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.28277
Spacegroup name	P 21 21 21
Unit cell lengths	88.177, 123.245, 130.356
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.098 - 2.189
R-factor	0.2064
Rwork	0.205
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nvb
RMSD bond length	0.008
RMSD bond angle	0.871
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.098	2.267
High resolution limit [Å]	2.189	2.189
Rmerge	0.093	0.598
Rmeas	0.098	0.625
Number of reflections	73418	7178
<I/σ(I)>	33.73	7.03
Completeness [%]	99.0	98
Redundancy	11.5	11.9
CC(1/2)	0.998	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	50mM Tris-HCl, pH 8.0 PEG 3000 15%(v/v), 50 mM NaCl