1DV2

The structure of biotin carboxylase, mutant E288K, complexed with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	273
Detector technology	AREA DETECTOR
Collection date	1999-10-07
Detector	SIEMENS HI-STAR
Spacegroup name	P 21 21 21
Unit cell lengths	81.300, 115.500, 122.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.172
Rwork	0.171
R-free	0.20300
RMSD bond length	0.012
RMSD bond angle	2.350
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	AMoRE
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.610
High resolution limit [Å]	2.500	2.500
Rmerge	0.072	0.297
Total number of observations	82537 *
Number of reflections	37574	3543 *
<I/σ(I)>	9.6
Completeness [%]	92.6	73.1
Redundancy	2.2	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	7 *	4 *	PEG-8000 ATP magnesium chloride HEPPS potassium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	10 (mg/ml)
2	1	2	potassium phosphate	10 (mM)
3	1	2	EDTA	1 (mM)
4	1	2	dithiothreitol	2 (mM)
5	1	2		1 (mM)