8I31

D-alanyl carrier protein

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	2022-04-21
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97927
Spacegroup name	P 1 21 1
Unit cell lengths	33.137, 63.968, 77.145
Unit cell angles	90.00, 93.95, 90.00

Refinement procedure

Resolution	32.970 - 2.280
R-factor	0.2197
Rwork	0.219
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bph
RMSD bond length	0.007
RMSD bond angle	0.928
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.280	2.280
Number of reflections	14764	1456
<I/σ(I)>	12.6
Completeness [%]	99.7
Redundancy	7.2
CC(1/2)	0.996	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	PEG 400, Magnesium chloride, pH 7.5 HEPES, Sodium Thiocyanate