8I32

D-alanyl carrier protein mutant-S36A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	298
Detector technology	CCD
Collection date	2021-12-30
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97935
Spacegroup name	P 21 21 2
Unit cell lengths	32.735, 157.955, 27.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.054 - 2.100
R-factor	0.2184
Rwork	0.217
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bpf
RMSD bond length	0.003
RMSD bond angle	0.444
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.080	2.170
High resolution limit [Å]	2.090	2.090
Rmeas	0.217
Number of reflections	9164	885
<I/σ(I)>	18
Completeness [%]	99.8
Redundancy	12.1
CC(1/2)		0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	PEG 8000 20.5% PEG 400 20% 100mM MgCl2 100mM pH 7.0 Tris-HCl